1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide

C20H29N3O2 — CID 30795732

IUPAC1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
SMILESC[C@@H](C(=O)NC1CCCC1)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H29N3O2/c1-15(19(24)21-17-9-5-6-10-17)23-13-11-16(12-14-23)20(25)22-18-7-3-2-4-8-18/h2-4,7-8,15-17H,5-6,9-14H2,1H3,(H,21,24)(H,22,25)/t15-/m0/s1
InChIKeyJTSRBDGMMLWFTM-HNNXBMFYSA-N
MW343.47 g/mol
LogP2.78
Rot. Bonds5

About 1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide

1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide (PubChem CID 30795732) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
PubChem CID30795732
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
SMILESC[C@@H](C(=O)NC1CCCC1)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H29N3O2/c1-15(19(24)21-17-9-5-6-10-17)23-13-11-16(12-14-23)20(25)22-18-7-3-2-4-8-18/h2-4,7-8,15-17H,5-6,9-14H2,1H3,(H,21,24)(H,22,25)/t15-/m0/s1
InChIKeyJTSRBDGMMLWFTM-HNNXBMFYSA-N
XLogP2.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473
(3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 51500739
1-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134673
1-[1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 18094756
1-[(2R)-1-amino-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134531
1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 78817808
1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 17487362
1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55816221
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
N-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 95352627
1-[(2R)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 26674864
1-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134654

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide (CID 30795732) is 1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide is C[C@@H](C(=O)NC1CCCC1)N1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is JTSRBDGMMLWFTM-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15(19(24)21-17-9-5-6-10-17)23-13-11-16(12-14-23)20(25)22-18-7-3-2-4-8-18/h2-4,7-8,15-17H,5-6,9-14H2,1H3,(H,21,24)(H,22,25)/t15-/m0/s1.
What are the key properties of 1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide?
1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 30795732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).