benzyl 4-(4-aminophenyl)spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propanoylamino)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;methane;4-[4-(methylsulfonylmethyl)phenyl]spiro[1H-naphthalene-2,4'-piperidine];bis(nonacosa-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28-octacosaene);N-(4-spiro[4H-naphthalene-3,4'-piperidine]-1-ylphenyl)propanamide

C226H193N11O16S2 — CID 157160227

About benzyl 4-(4-aminophenyl)spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propanoylamino)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;methane;4-[4-(methylsulfonylmethyl)phenyl]spiro[1H-naphthalene-2,4'-piperidine];bis(nonacosa-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28-octacosaene);N-(4-spiro[4H-naphthalene-3,4'-piperidine]-1-ylphenyl)propanamide

benzyl 4-(4-aminophenyl)spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propanoylamino)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;methane;4-[4-(methylsulfonylmethyl)phenyl]spiro[1H-naphthalene-2,4'-piperidine];bis(nonacosa-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28-octacosaene);N-(4-spiro[4H-naphthalene-3,4'-piperidine]-1-ylphenyl)propanamide (PubChem CID 157160227) has the molecular formula C226H193N11O16S2 and a molecular weight of 3383.22 g/mol. Its IUPAC name is benzyl 4-(4-aminophenyl)spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propanoylamino)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;methane;4-[4-(methylsulfonylmethyl)phenyl]spiro[1H-naphthalene-2,4'-piperidine];bis(nonacosa-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28-octacosaene);N-(4-spiro[4H-naphthalene-3,4'-piperidine]-1-ylphenyl)propanamide.

Molecular Properties

• Compound Name: benzyl 4-(4-aminophenyl)spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propanoylamino)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;methane;4-[4-(methylsulfonylmethyl)phenyl]spiro[1H-naphthalene-2,4'-piperidine];bis(nonacosa-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28-octacosaene);N-(4-spiro[4H-naphthalene-3,4'-piperidine]-1-ylphenyl)propanamide
• PubChem CID: 157160227
• Molecular Formula: C226H193N11O16S2
• Molecular Weight: 3383.22 g/mol
• Exact Mass: 3380.41
• IUPAC Name: benzyl 4-(4-aminophenyl)spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propanoylamino)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;methane;4-[4-(methylsulfonylmethyl)phenyl]spiro[1H-naphthalene-2,4'-piperidine];bis(nonacosa-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28-octacosaene);N-(4-spiro[4H-naphthalene-3,4'-piperidine]-1-ylphenyl)propanamide
• SMILES: C.C.C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C.C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C.CC(C)(C)OC(=O)Nc1ccc(C2=CC3(CCN(C(=O)OCc4ccccc4)CC3)Cc3ccccc32)cc1.CCC(=O)Nc1ccc(C2=CC3(CCN(C(=O)OCc4ccccc4)CC3)Cc3ccccc32)cc1.CCC(=O)Nc1ccc(C2=CC3(CCNCC3)Cc3ccccc32)cc1.CS(=O)(=O)Cc1ccc(C2=CC3(CCNCC3)Cc3ccccc32)cc1.CS(=O)(=O)Nc1ccc(C2=CC3(CCN(C(=O)OCc4ccccc4)CC3)Cc3ccccc32)cc1.Nc1ccc(C2=CC3(CCN(C(=O)OCc4ccccc4)CC3)Cc3ccccc32)cc1
• InChI: InChI=1S/C33H36N2O4.C31H32N2O3.C29H30N2O4S.2C29H4.C28H28N2O2.C23H26N2O.C22H25NO2S.2CH4/c1-32(2,3)39-30(36)34-27-15-13-25(14-16-27)29-22-33(21-26-11-7-8-12-28(26)29)17-19-35(20-18-33)31(37)38-23-24-9-5-4-6-10-24;1-2-29(34)32-26-14-12-24(13-15-26)28-21-31(20-25-10-6-7-11-27(25)28)16-18-33(19-17-31)30(35)36-22-23-8-4-3-5-9-23;1-36(33,34)30-25-13-11-23(12-14-25)27-20-29(19-24-9-5-6-10-26(24)27)15-17-31(18-16-29)28(32)35-21-22-7-3-2-4-8-22;2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2;29-24-12-10-22(11-13-24)26-19-28(18-23-8-4-5-9-25(23)26)14-16-30(17-15-28)27(31)32-20-21-6-2-1-3-7-21;1-2-22(26)25-19-9-7-17(8-10-19)21-16-23(11-13-24-14-12-23)15-18-5-3-4-6-20(18)21;1-26(24,25)16-17-6-8-18(9-7-17)21-15-22(10-12-23-13-11-22)14-19-4-2-3-5-20(19)21;;/h4-16,22H,17-21,23H2,1-3H3,(H,34,36);3-15,21H,2,16-20,22H2,1H3,(H,32,34);2-14,20,30H,15-19,21H2,1H3;2*1-2H2;1-13,19H,14-18,20,29H2;3-10,16,24H,2,11-15H2,1H3,(H,25,26);2-9,15,23H,10-14,16H2,1H3;2*1H4
• InChIKey: AMHBEDKYFXTYDG-UHFFFAOYSA-N
• XLogP: 44.26
• TPSA: 345.08 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 23
• Heavy Atoms: 255
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3383.22
LogP ≤ 5	44.26
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(4-aminophenyl)spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propanoylamino)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;methane;4-[4-(methylsulfonylmethyl)phenyl]spiro[1H-naphthalene-2,4'-piperidine];bis(nonacosa-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28-octacosaene);N-(4-spiro[4H-naphthalene-3,4'-piperidine]-1-ylphenyl)propanamide?

The IUPAC name of benzyl 4-(4-aminophenyl)spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propanoylamino)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;methane;4-[4-(methylsulfonylmethyl)phenyl]spiro[1H-naphthalene-2,4'-piperidine];bis(nonacosa-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28-octacosaene);N-(4-spiro[4H-naphthalene-3,4'-piperidine]-1-ylphenyl)propanamide (CID 157160227) is benzyl 4-(4-aminophenyl)spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propanoylamino)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;methane;4-[4-(methylsulfonylmethyl)phenyl]spiro[1H-naphthalene-2,4'-piperidine];bis(nonacosa-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28-octacosaene);N-(4-spiro[4H-naphthalene-3,4'-piperidine]-1-ylphenyl)propanamide.

What is the SMILES notation for benzyl 4-(4-aminophenyl)spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propanoylamino)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;methane;4-[4-(methylsulfonylmethyl)phenyl]spiro[1H-naphthalene-2,4'-piperidine];bis(nonacosa-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28-octacosaene);N-(4-spiro[4H-naphthalene-3,4'-piperidine]-1-ylphenyl)propanamide?

The canonical SMILES for benzyl 4-(4-aminophenyl)spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propanoylamino)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;methane;4-[4-(methylsulfonylmethyl)phenyl]spiro[1H-naphthalene-2,4'-piperidine];bis(nonacosa-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28-octacosaene);N-(4-spiro[4H-naphthalene-3,4'-piperidine]-1-ylphenyl)propanamide is C.C.C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C.C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C.CC(C)(C)OC(=O)Nc1ccc(C2=CC3(CCN(C(=O)OCc4ccccc4)CC3)Cc3ccccc32)cc1.CCC(=O)Nc1ccc(C2=CC3(CCN(C(=O)OCc4ccccc4)CC3)Cc3ccccc32)cc1.CCC(=O)Nc1ccc(C2=CC3(CCNCC3)Cc3ccccc32)cc1.CS(=O)(=O)Cc1ccc(C2=CC3(CCNCC3)Cc3ccccc32)cc1.CS(=O)(=O)Nc1ccc(C2=CC3(CCN(C(=O)OCc4ccccc4)CC3)Cc3ccccc32)cc1.Nc1ccc(C2=CC3(CCN(C(=O)OCc4ccccc4)CC3)Cc3ccccc32)cc1.

What is the InChIKey of benzyl 4-(4-aminophenyl)spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propanoylamino)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;methane;4-[4-(methylsulfonylmethyl)phenyl]spiro[1H-naphthalene-2,4'-piperidine];bis(nonacosa-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28-octacosaene);N-(4-spiro[4H-naphthalene-3,4'-piperidine]-1-ylphenyl)propanamide?

The InChIKey is AMHBEDKYFXTYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O4.C31H32N2O3.C29H30N2O4S.2C29H4.C28H28N2O2.C23H26N2O.C22H25NO2S.2CH4/c1-32(2,3)39-30(36)34-27-15-13-25(14-16-27)29-22-33(21-26-11-7-8-12-28(26)29)17-19-35(20-18-33)31(37)38-23-24-9-5-4-6-10-24;1-2-29(34)32-26-14-12-24(13-15-26)28-21-31(20-25-10-6-7-11-27(25)28)16-18-33(19-17-31)30(35)36-22-23-8-4-3-5-9-23;1-36(33,34)30-25-13-11-23(12-14-25)27-20-29(19-24-9-5-6-10-26(24)27)15-17-31(18-16-29)28(32)35-21-22-7-3-2-4-8-22;2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2;29-24-12-10-22(11-13-24)26-19-28(18-23-8-4-5-9-25(23)26)14-16-30(17-15-28)27(31)32-20-21-6-2-1-3-7-21;1-2-22(26)25-19-9-7-17(8-10-19)21-16-23(11-13-24-14-12-23)15-18-5-3-4-6-20(18)21;1-26(24,25)16-17-6-8-18(9-7-17)21-15-22(10-12-23-13-11-22)14-19-4-2-3-5-20(19)21;;/h4-16,22H,17-21,23H2,1-3H3,(H,34,36);3-15,21H,2,16-20,22H2,1H3,(H,32,34);2-14,20,30H,15-19,21H2,1H3;2*1-2H2;1-13,19H,14-18,20,29H2;3-10,16,24H,2,11-15H2,1H3,(H,25,26);2-9,15,23H,10-14,16H2,1H3;2*1H4.

What are the key properties of benzyl 4-(4-aminophenyl)spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propanoylamino)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;methane;4-[4-(methylsulfonylmethyl)phenyl]spiro[1H-naphthalene-2,4'-piperidine];bis(nonacosa-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28-octacosaene);N-(4-spiro[4H-naphthalene-3,4'-piperidine]-1-ylphenyl)propanamide?

benzyl 4-(4-aminophenyl)spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propanoylamino)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;methane;4-[4-(methylsulfonylmethyl)phenyl]spiro[1H-naphthalene-2,4'-piperidine];bis(nonacosa-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28-octacosaene);N-(4-spiro[4H-naphthalene-3,4'-piperidine]-1-ylphenyl)propanamide has a molecular weight of 3383.22 g/mol, XLogP of 44.26, 23 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 4-(4-aminophenyl)spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propanoylamino)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;methane;4-[4-(methylsulfonylmethyl)phenyl]spiro[1H-naphthalene-2,4'-piperidine];bis(nonacosa-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28-octacosaene);N-(4-spiro[4H-naphthalene-3,4'-piperidine]-1-ylphenyl)propanamide is sourced from PubChem (CID 157160227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).