N-[(1S)-1'-[4-(2-methylbutan-2-yl)cyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen

C27H44N2O — CID 160599665

About N-[(1S)-1'-[4-(2-methylbutan-2-yl)cyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen

N-[(1S)-1'-[4-(2-methylbutan-2-yl)cyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen (PubChem CID 160599665) has the molecular formula C27H44N2O and a molecular weight of 412.66 g/mol. Its IUPAC name is N-[(1S)-1'-[4-(2-methylbutan-2-yl)cyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(1S)-1'-[4-(2-methylbutan-2-yl)cyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
• PubChem CID: 160599665
• Molecular Formula: C27H44N2O
• Molecular Weight: 412.66 g/mol
• Exact Mass: 412.35
• IUPAC Name: N-[(1S)-1'-[4-(2-methylbutan-2-yl)cyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
• SMILES: CCC(C)(C)C1CCC(N2CCC3(CC[C@H](NC(C)=O)c4ccccc43)CC2)CC1.[H][H]
• InChI: InChI=1S/C27H42N2O.H2/c1-5-26(3,4)21-10-12-22(13-11-21)29-18-16-27(17-19-29)15-14-25(28-20(2)30)23-8-6-7-9-24(23)27;/h6-9,21-22,25H,5,10-19H2,1-4H3,(H,28,30);1H/t21?,22?,25-;/m0./s1
• InChIKey: RECIEXJOOQFGCR-CCUKMFKSSA-N
• XLogP: 6.23
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.66
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-[(1S)-1'-[4-(2-methylbutan-2-yl)cyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen (CID 160599665) is N-[(1S)-1'-[4-(2-methylbutan-2-yl)cyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen.

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

The canonical SMILES for N-[(1S)-1'-[4-(2-methylbutan-2-yl)cyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen is CCC(C)(C)C1CCC(N2CCC3(CC[C@H](NC(C)=O)c4ccccc43)CC2)CC1.[H][H].

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

The InChIKey is RECIEXJOOQFGCR-CCUKMFKSSA-N. The full InChI is InChI=1S/C27H42N2O.H2/c1-5-26(3,4)21-10-12-22(13-11-21)29-18-16-27(17-19-29)15-14-25(28-20(2)30)23-8-6-7-9-24(23)27;/h6-9,21-22,25H,5,10-19H2,1-4H3,(H,28,30);1H/t21?,22?,25-;/m0./s1.

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

N-[(1S)-1'-[4-(2-methylbutan-2-yl)cyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen has a molecular weight of 412.66 g/mol, XLogP of 6.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1'-[4-(2-methylbutan-2-yl)cyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 160599665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).