N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;1,1,3-trimethyl-3-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea

C71H115N7O4 — CID 159968585

About N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;1,1,3-trimethyl-3-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea

N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;1,1,3-trimethyl-3-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea (PubChem CID 159968585) has the molecular formula C71H115N7O4 and a molecular weight of 1130.75 g/mol. Its IUPAC name is N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;1,1,3-trimethyl-3-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea.

Molecular Properties

• Compound Name: N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;1,1,3-trimethyl-3-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea
• PubChem CID: 159968585
• Molecular Formula: C71H115N7O4
• Molecular Weight: 1130.75 g/mol
• Exact Mass: 1129.90
• IUPAC Name: N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;1,1,3-trimethyl-3-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea
• SMILES: CC(=O)CCC(=O)N[C@@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(C(C)CC(C)(C)C)CC2)c2ccccc21.CC(C)CCN1CCC2(CC[C@H](N(C)C(=O)N(C)C)c3ccccc32)CC1.[H][H].[H][H]
• InChI: InChI=1S/C25H38N2O2.C23H37N3O.C23H36N2O.2H2/c1-19(28)9-10-23(29)26-22-11-12-25(21-8-6-5-7-20(21)22)14-17-27(18-15-25)16-13-24(2,3)4;1-18(2)11-15-26-16-13-23(14-17-26)12-10-21(25(5)22(27)24(3)4)19-8-6-7-9-20(19)23;1-17(16-22(3,4)5)25-14-12-23(13-15-25)11-10-21(24-18(2)26)19-8-6-7-9-20(19)23;;/h5-8,22H,9-18H2,1-4H3,(H,26,29);6-9,18,21H,10-17H2,1-5H3;6-9,17,21H,10-16H2,1-5H3,(H,24,26);2*1H/t22-;21-;17?,21-;;/m100../s1
• InChIKey: OEGDIWZHMVBOMA-QKFZIQPASA-N
• XLogP: 14.60
• TPSA: 108.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1130.75
LogP ≤ 5	14.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;1,1,3-trimethyl-3-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea?

The IUPAC name of N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;1,1,3-trimethyl-3-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea (CID 159968585) is N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;1,1,3-trimethyl-3-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea.

What is the SMILES notation for N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;1,1,3-trimethyl-3-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea?

The canonical SMILES for N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;1,1,3-trimethyl-3-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea is CC(=O)CCC(=O)N[C@@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(C(C)CC(C)(C)C)CC2)c2ccccc21.CC(C)CCN1CCC2(CC[C@H](N(C)C(=O)N(C)C)c3ccccc32)CC1.[H][H].[H][H].

What is the InChIKey of N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;1,1,3-trimethyl-3-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea?

The InChIKey is OEGDIWZHMVBOMA-QKFZIQPASA-N. The full InChI is InChI=1S/C25H38N2O2.C23H37N3O.C23H36N2O.2H2/c1-19(28)9-10-23(29)26-22-11-12-25(21-8-6-5-7-20(21)22)14-17-27(18-15-25)16-13-24(2,3)4;1-18(2)11-15-26-16-13-23(14-17-26)12-10-21(25(5)22(27)24(3)4)19-8-6-7-9-20(19)23;1-17(16-22(3,4)5)25-14-12-23(13-15-25)11-10-21(24-18(2)26)19-8-6-7-9-20(19)23;;/h5-8,22H,9-18H2,1-4H3,(H,26,29);6-9,18,21H,10-17H2,1-5H3;6-9,17,21H,10-16H2,1-5H3,(H,24,26);2*1H/t22-;21-;17?,21-;;/m100../s1.

What are the key properties of N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;1,1,3-trimethyl-3-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea?

N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;1,1,3-trimethyl-3-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea has a molecular weight of 1130.75 g/mol, XLogP of 14.60, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;1,1,3-trimethyl-3-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea is sourced from PubChem (CID 159968585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).