(3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide

C21H31N3O2 — CID 51500739

IUPAC(3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
SMILESC[C@@H](C(=O)NC1CCCCC1)N1CCC[C@H](C(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H31N3O2/c1-16(20(25)22-18-10-4-2-5-11-18)24-14-8-9-17(15-24)21(26)23-19-12-6-3-7-13-19/h3,6-7,12-13,16-18H,2,4-5,8-11,14-15H2,1H3,(H,22,25)(H,23,26)/t16-,17-/m0/s1
InChIKeyOGKIRMNIMRGKJG-IRXDYDNUSA-N
MW357.50 g/mol
LogP3.17
Rot. Bonds5

About (3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide

(3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide (PubChem CID 51500739) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
PubChem CID51500739
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name(3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
SMILESC[C@@H](C(=O)NC1CCCCC1)N1CCC[C@H](C(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H31N3O2/c1-16(20(25)22-18-10-4-2-5-11-18)24-14-8-9-17(15-24)21(26)23-19-12-6-3-7-13-19/h3,6-7,12-13,16-18H,2,4-5,8-11,14-15H2,1H3,(H,22,25)(H,23,26)/t16-,17-/m0/s1
InChIKeyOGKIRMNIMRGKJG-IRXDYDNUSA-N
XLogP3.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 30795732
1-[1-(3-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 17498457
(3S)-1-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 51672985
1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 46663268
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473
(3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 8543236
(3R)-1-[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 25493999
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
(3S)-1-[(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 51927758
(3S)-1-[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 51927756
N-cyclohexyl-2-[3-(phenoxymethyl)piperidin-1-yl]propanamide
CID 86972360

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide (CID 51500739) is (3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide is C[C@@H](C(=O)NC1CCCCC1)N1CCC[C@H](C(=O)Nc2ccccc2)C1.
What is the InChIKey of (3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is OGKIRMNIMRGKJG-IRXDYDNUSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-16(20(25)22-18-10-4-2-5-11-18)24-14-8-9-17(15-24)21(26)23-19-12-6-3-7-13-19/h3,6-7,12-13,16-18H,2,4-5,8-11,14-15H2,1H3,(H,22,25)(H,23,26)/t16-,17-/m0/s1.
What are the key properties of (3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide?
(3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 51500739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).