(3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide

C21H31N3O2 — CID 7435336

IUPAC(3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
SMILESO=C(NCCc1ccccc1)[C@H]1CCCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C21H31N3O2/c25-20(22-14-13-17-8-3-1-4-9-17)18-10-7-15-24(16-18)21(26)23-19-11-5-2-6-12-19/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H,22,25)(H,23,26)/t18-/m0/s1
InChIKeyAOFDBOPUGUYPQX-SFHVURJKSA-N
MW357.50 g/mol
LogP3.10
Rot. Bonds5

About (3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide

(3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide (PubChem CID 7435336) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
PubChem CID7435336
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name(3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
SMILESO=C(NCCc1ccccc1)[C@H]1CCCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C21H31N3O2/c25-20(22-14-13-17-8-3-1-4-9-17)18-10-7-15-24(16-18)21(26)23-19-11-5-2-6-12-19/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H,22,25)(H,23,26)/t18-/m0/s1
InChIKeyAOFDBOPUGUYPQX-SFHVURJKSA-N
XLogP3.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 47984523
(3S)-1-N,1-N-diethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 51941062
1-N-cyclopentyl-3-N-[2-(methylamino)ethyl]piperidine-1,3-dicarboxamide
CID 119500364
(2S)-2-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 119366391
(3R)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 96575197
3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119620174
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429
N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 59279121
(3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 94082169
1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45221291
(3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide
CID 102220745
(3R)-1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 7435356

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide (CID 7435336) is (3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide is O=C(NCCc1ccccc1)[C@H]1CCCN(C(=O)NC2CCCCC2)C1.
What is the InChIKey of (3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide?
The InChIKey is AOFDBOPUGUYPQX-SFHVURJKSA-N. The full InChI is InChI=1S/C21H31N3O2/c25-20(22-14-13-17-8-3-1-4-9-17)18-10-7-15-24(16-18)21(26)23-19-11-5-2-6-12-19/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H,22,25)(H,23,26)/t18-/m0/s1.
What are the key properties of (3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide?
(3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 7435336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).