tert-butyl 4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;methane;2-[5-[3-[1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[chromene-2,4'-piperidine]-4-yl]phenyl]tetrazol-2-yl]acetic acid;4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine];bis(1-[5-(3-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-2-one)

C131H147N27O15 — CID 159365841

About tert-butyl 4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;methane;2-[5-[3-[1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[chromene-2,4'-piperidine]-4-yl]phenyl]tetrazol-2-yl]acetic acid;4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine];bis(1-[5-(3-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-2-one)

tert-butyl 4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;methane;2-[5-[3-[1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[chromene-2,4'-piperidine]-4-yl]phenyl]tetrazol-2-yl]acetic acid;4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine];bis(1-[5-(3-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-2-one) (PubChem CID 159365841) has the molecular formula C131H147N27O15 and a molecular weight of 2339.79 g/mol. Its IUPAC name is tert-butyl 4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;methane;2-[5-[3-[1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[chromene-2,4'-piperidine]-4-yl]phenyl]tetrazol-2-yl]acetic acid;4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine];bis(1-[5-(3-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-2-one).

Molecular Properties

• Compound Name: tert-butyl 4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;methane;2-[5-[3-[1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[chromene-2,4'-piperidine]-4-yl]phenyl]tetrazol-2-yl]acetic acid;4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine];bis(1-[5-(3-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-2-one)
• PubChem CID: 159365841
• Molecular Formula: C131H147N27O15
• Molecular Weight: 2339.79 g/mol
• Exact Mass: 2338.16
• IUPAC Name: tert-butyl 4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;methane;2-[5-[3-[1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[chromene-2,4'-piperidine]-4-yl]phenyl]tetrazol-2-yl]acetic acid;4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine];bis(1-[5-(3-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-2-one)
• SMILES: C.C1=C(c2cccc(-c3nnn(CCN4CCOCC4)n3)c2)c2ccccc2OC12CCNCC2.CC(=O)Cn1nnc(-c2cccc(C3=CC4(CCNCC4)Oc4ccccc43)c2)n1.CC(=O)Cn1nnc(-c2cccc(C3=CC4(CCNCC4)Oc4ccccc43)c2)n1.CC(C)(C)OC(=O)N1CCC2(C=C(c3cccc(-c4nnn(CC(=O)O)n4)c3)c3ccccc3O2)CC1.CC(C)(C)OC(=O)N1CCC2(C=C(c3cccc(-c4nnn(CCN5CCOCC5)n4)c3)c3ccccc3O2)CC1
• InChI: InChI=1S/C31H38N6O4.C27H29N5O5.C26H30N6O2.2C23H23N5O2.CH4/c1-30(2,3)41-29(38)36-13-11-31(12-14-36)22-26(25-9-4-5-10-27(25)40-31)23-7-6-8-24(21-23)28-32-34-37(33-28)16-15-35-17-19-39-20-18-35;1-26(2,3)37-25(35)31-13-11-27(12-14-31)16-21(20-9-4-5-10-22(20)36-27)18-7-6-8-19(15-18)24-28-30-32(29-24)17-23(33)34;1-2-7-24-22(6-1)23(19-26(34-24)8-10-27-11-9-26)20-4-3-5-21(18-20)25-28-30-32(29-25)13-12-31-14-16-33-17-15-31;2*1-16(29)15-28-26-22(25-27-28)18-6-4-5-17(13-18)20-14-23(9-11-24-12-10-23)30-21-8-3-2-7-19(20)21;/h4-10,21-22H,11-20H2,1-3H3;4-10,15-16H,11-14,17H2,1-3H3,(H,33,34);1-7,18-19,27H,8-17H2;2*2-8,13-14,24H,9-12,15H2,1H3;1H4
• InChIKey: LJCRKVNUCMFXEQ-UHFFFAOYSA-N
• XLogP: 17.29
• TPSA: 455.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 39
• Rotatable Bonds: 22
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2339.79
LogP ≤ 5	17.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;methane;2-[5-[3-[1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[chromene-2,4'-piperidine]-4-yl]phenyl]tetrazol-2-yl]acetic acid;4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine];bis(1-[5-(3-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-2-one)?

The IUPAC name of tert-butyl 4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;methane;2-[5-[3-[1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[chromene-2,4'-piperidine]-4-yl]phenyl]tetrazol-2-yl]acetic acid;4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine];bis(1-[5-(3-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-2-one) (CID 159365841) is tert-butyl 4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;methane;2-[5-[3-[1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[chromene-2,4'-piperidine]-4-yl]phenyl]tetrazol-2-yl]acetic acid;4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine];bis(1-[5-(3-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-2-one).

What is the SMILES notation for tert-butyl 4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;methane;2-[5-[3-[1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[chromene-2,4'-piperidine]-4-yl]phenyl]tetrazol-2-yl]acetic acid;4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine];bis(1-[5-(3-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-2-one)?

The canonical SMILES for tert-butyl 4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;methane;2-[5-[3-[1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[chromene-2,4'-piperidine]-4-yl]phenyl]tetrazol-2-yl]acetic acid;4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine];bis(1-[5-(3-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-2-one) is C.C1=C(c2cccc(-c3nnn(CCN4CCOCC4)n3)c2)c2ccccc2OC12CCNCC2.CC(=O)Cn1nnc(-c2cccc(C3=CC4(CCNCC4)Oc4ccccc43)c2)n1.CC(=O)Cn1nnc(-c2cccc(C3=CC4(CCNCC4)Oc4ccccc43)c2)n1.CC(C)(C)OC(=O)N1CCC2(C=C(c3cccc(-c4nnn(CC(=O)O)n4)c3)c3ccccc3O2)CC1.CC(C)(C)OC(=O)N1CCC2(C=C(c3cccc(-c4nnn(CCN5CCOCC5)n4)c3)c3ccccc3O2)CC1.

What is the InChIKey of tert-butyl 4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;methane;2-[5-[3-[1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[chromene-2,4'-piperidine]-4-yl]phenyl]tetrazol-2-yl]acetic acid;4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine];bis(1-[5-(3-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-2-one)?

The InChIKey is LJCRKVNUCMFXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N6O4.C27H29N5O5.C26H30N6O2.2C23H23N5O2.CH4/c1-30(2,3)41-29(38)36-13-11-31(12-14-36)22-26(25-9-4-5-10-27(25)40-31)23-7-6-8-24(21-23)28-32-34-37(33-28)16-15-35-17-19-39-20-18-35;1-26(2,3)37-25(35)31-13-11-27(12-14-31)16-21(20-9-4-5-10-22(20)36-27)18-7-6-8-19(15-18)24-28-30-32(29-24)17-23(33)34;1-2-7-24-22(6-1)23(19-26(34-24)8-10-27-11-9-26)20-4-3-5-21(18-20)25-28-30-32(29-25)13-12-31-14-16-33-17-15-31;2*1-16(29)15-28-26-22(25-27-28)18-6-4-5-17(13-18)20-14-23(9-11-24-12-10-23)30-21-8-3-2-7-19(20)21;/h4-10,21-22H,11-20H2,1-3H3;4-10,15-16H,11-14,17H2,1-3H3,(H,33,34);1-7,18-19,27H,8-17H2;2*2-8,13-14,24H,9-12,15H2,1H3;1H4.

What are the key properties of tert-butyl 4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;methane;2-[5-[3-[1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[chromene-2,4'-piperidine]-4-yl]phenyl]tetrazol-2-yl]acetic acid;4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine];bis(1-[5-(3-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-2-one)?

tert-butyl 4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;methane;2-[5-[3-[1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[chromene-2,4'-piperidine]-4-yl]phenyl]tetrazol-2-yl]acetic acid;4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine];bis(1-[5-(3-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-2-one) has a molecular weight of 2339.79 g/mol, XLogP of 17.29, 22 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate;methane;2-[5-[3-[1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[chromene-2,4'-piperidine]-4-yl]phenyl]tetrazol-2-yl]acetic acid;4-[3-[2-(2-morpholin-4-ylethyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine];bis(1-[5-(3-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-2-one) is sourced from PubChem (CID 159365841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).