(2S)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide

C17H23N3O2 — CID 119694507

IUPAC(2S)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCCN1
InChIInChI=1S/C17H23N3O2/c21-16-5-3-11-20(16)14-8-6-13(7-9-14)12-19-17(22)15-4-1-2-10-18-15/h6-9,15,18H,1-5,10-12H2,(H,19,22)/t15-/m0/s1
InChIKeyTVOZFCGMIWJRGN-HNNXBMFYSA-N
MW301.39 g/mol
LogP1.57
Rot. Bonds4

About (2S)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide

(2S)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide (PubChem CID 119694507) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide
PubChem CID119694507
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2S)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCCN1
InChIInChI=1S/C17H23N3O2/c21-16-5-3-11-20(16)14-8-6-13(7-9-14)12-19-17(22)15-4-1-2-10-18-15/h6-9,15,18H,1-5,10-12H2,(H,19,22)/t15-/m0/s1
InChIKeyTVOZFCGMIWJRGN-HNNXBMFYSA-N
XLogP1.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119270698
4-[[[(2S)-piperidine-2-carbonyl]amino]methyl]benzoic acid
CID 103869345
2-hydroxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 110013970
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 119303551
4-[(pyrrolidine-2-carbonylamino)methyl]benzoic acid
CID 61156861
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide
CID 119834969
1-(4-methylphenyl)-2-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 60566003

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide (CID 119694507) is (2S)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide is O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide?
The InChIKey is TVOZFCGMIWJRGN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-16-5-3-11-20(16)14-8-6-13(7-9-14)12-19-17(22)15-4-1-2-10-18-15/h6-9,15,18H,1-5,10-12H2,(H,19,22)/t15-/m0/s1.
What are the key properties of (2S)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide?
(2S)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 119694507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).