N-[(1S)-1'-(4-phenylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

C27H34N2O — CID 59433832

IUPACN-[(1S)-1'-(4-phenylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@H]1CC2(CCN(C3CCC(c4ccccc4)CC3)CC2)c2ccccc21
InChIInChI=1S/C27H34N2O/c1-20(30)28-26-19-27(25-10-6-5-9-24(25)26)15-17-29(18-16-27)23-13-11-22(12-14-23)21-7-3-2-4-8-21/h2-10,22-23,26H,11-19H2,1H3,(H,28,30)/t22?,23?,26-/m0/s1
InChIKeyLHWGNHJEQYEYPU-JGZAQREWSA-N
MW402.58 g/mol
LogP5.33
Rot. Bonds3

About N-[(1S)-1'-(4-phenylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

N-[(1S)-1'-(4-phenylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 59433832) has the molecular formula C27H34N2O and a molecular weight of 402.58 g/mol. Its IUPAC name is N-[(1S)-1'-(4-phenylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1'-(4-phenylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID59433832
Molecular FormulaC27H34N2O
Molecular Weight402.58 g/mol
Exact Mass402.27
IUPAC NameN-[(1S)-1'-(4-phenylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@H]1CC2(CCN(C3CCC(c4ccccc4)CC3)CC2)c2ccccc21
InChIInChI=1S/C27H34N2O/c1-20(30)28-26-19-27(25-10-6-5-9-24(25)26)15-17-29(18-16-27)23-13-11-22(12-14-23)21-7-3-2-4-8-21/h2-10,22-23,26H,11-19H2,1H3,(H,28,30)/t22?,23?,26-/m0/s1
InChIKeyLHWGNHJEQYEYPU-JGZAQREWSA-N
XLogP5.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.58
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-(4-phenylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-[(1S)-1'-(4-phenylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 59433832) is N-[(1S)-1'-(4-phenylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1'-(4-phenylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1'-(4-phenylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is CC(=O)N[C@H]1CC2(CCN(C3CCC(c4ccccc4)CC3)CC2)c2ccccc21.
What is the InChIKey of N-[(1S)-1'-(4-phenylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is LHWGNHJEQYEYPU-JGZAQREWSA-N. The full InChI is InChI=1S/C27H34N2O/c1-20(30)28-26-19-27(25-10-6-5-9-24(25)26)15-17-29(18-16-27)23-13-11-22(12-14-23)21-7-3-2-4-8-21/h2-10,22-23,26H,11-19H2,1H3,(H,28,30)/t22?,23?,26-/m0/s1.
What are the key properties of N-[(1S)-1'-(4-phenylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
N-[(1S)-1'-(4-phenylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 402.58 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-(4-phenylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 59433832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).