N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-propylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,5,5-trimethylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide

C87H142N8O4S — CID 161217462

About N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-propylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,5,5-trimethylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide

N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-propylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,5,5-trimethylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide (PubChem CID 161217462) has the molecular formula C87H142N8O4S and a molecular weight of 1396.21 g/mol. Its IUPAC name is N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-propylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,5,5-trimethylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-propylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,5,5-trimethylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
• PubChem CID: 161217462
• Molecular Formula: C87H142N8O4S
• Molecular Weight: 1396.21 g/mol
• Exact Mass: 1395.09
• IUPAC Name: N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-propylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,5,5-trimethylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
• SMILES: CC(=O)N[C@H]1CCC2(CCN(CCC(C)CC(C)(C)C)CC2)c2ccccc21.CCC(CC)CN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.CCCN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.CSC(C)CCN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H40N2O.C22H34N2O.C21H32N2OS.C19H28N2O.4H2/c1-19(18-24(3,4)5)11-15-27-16-13-25(14-17-27)12-10-23(26-20(2)28)21-8-6-7-9-22(21)25;1-4-18(5-2)16-24-14-12-22(13-15-24)11-10-21(23-17(3)25)19-8-6-7-9-20(19)22;1-16(25-3)9-13-23-14-11-21(12-15-23)10-8-20(22-17(2)24)18-6-4-5-7-19(18)21;1-3-12-21-13-10-19(11-14-21)9-8-18(20-15(2)22)16-6-4-5-7-17(16)19;;;;/h6-9,19,23H,10-18H2,1-5H3,(H,26,28);6-9,18,21H,4-5,10-16H2,1-3H3,(H,23,25);4-7,16,20H,8-15H2,1-3H3,(H,22,24);4-7,18H,3,8-14H2,1-2H3,(H,20,22);4*1H/t19?,23-;21-;16?,20-;18-;;;;/m0000..../s1
• InChIKey: UXBDDNMLKAMNRI-VHWNQUQHSA-N
• XLogP: 18.40
• TPSA: 129.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1396.21
LogP ≤ 5	18.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-propylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,5,5-trimethylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?

The IUPAC name of N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-propylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,5,5-trimethylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide (CID 161217462) is N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-propylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,5,5-trimethylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide.

What is the SMILES notation for N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-propylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,5,5-trimethylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?

The canonical SMILES for N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-propylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,5,5-trimethylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide is CC(=O)N[C@H]1CCC2(CCN(CCC(C)CC(C)(C)C)CC2)c2ccccc21.CCC(CC)CN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.CCCN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.CSC(C)CCN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-propylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,5,5-trimethylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?

The InChIKey is UXBDDNMLKAMNRI-VHWNQUQHSA-N. The full InChI is InChI=1S/C25H40N2O.C22H34N2O.C21H32N2OS.C19H28N2O.4H2/c1-19(18-24(3,4)5)11-15-27-16-13-25(14-17-27)12-10-23(26-20(2)28)21-8-6-7-9-22(21)25;1-4-18(5-2)16-24-14-12-22(13-15-24)11-10-21(23-17(3)25)19-8-6-7-9-20(19)22;1-16(25-3)9-13-23-14-11-21(12-15-23)10-8-20(22-17(2)24)18-6-4-5-7-19(18)21;1-3-12-21-13-10-19(11-14-21)9-8-18(20-15(2)22)16-6-4-5-7-17(16)19;;;;/h6-9,19,23H,10-18H2,1-5H3,(H,26,28);6-9,18,21H,4-5,10-16H2,1-3H3,(H,23,25);4-7,16,20H,8-15H2,1-3H3,(H,22,24);4-7,18H,3,8-14H2,1-2H3,(H,20,22);4*1H/t19?,23-;21-;16?,20-;18-;;;;/m0000..../s1.

What are the key properties of N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-propylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,5,5-trimethylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?

N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-propylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,5,5-trimethylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide has a molecular weight of 1396.21 g/mol, XLogP of 18.40, 18 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylsulfanylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-propylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,5,5-trimethylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 161217462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).