(2R,3R)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide

C23H29ClN4O2 — CID 99808377

IUPAC(2R,3R)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide
SMILESCN1C(=O)CC[C@@H](C(=O)NCC2(c3cccc(Cl)c3)CCCC2)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C23H29ClN4O2/c1-27-14-16(13-26-27)21-19(8-9-20(29)28(21)2)22(30)25-15-23(10-3-4-11-23)17-6-5-7-18(24)12-17/h5-7,12-14,19,21H,3-4,8-11,15H2,1-2H3,(H,25,30)/t19-,21+/m1/s1
InChIKeyAKXBIOIPDSJHIC-CTNGQTDRSA-N
MW428.96 g/mol
LogP3.61
Rot. Bonds5

About (2R,3R)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide

(2R,3R)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 99808377) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is (2R,3R)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide
PubChem CID99808377
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC Name(2R,3R)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide
SMILESCN1C(=O)CC[C@@H](C(=O)NCC2(c3cccc(Cl)c3)CCCC2)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C23H29ClN4O2/c1-27-14-16(13-26-27)21-19(8-9-20(29)28(21)2)22(30)25-15-23(10-3-4-11-23)17-6-5-7-18(24)12-17/h5-7,12-14,19,21H,3-4,8-11,15H2,1-2H3,(H,25,30)/t19-,21+/m1/s1
InChIKeyAKXBIOIPDSJHIC-CTNGQTDRSA-N
XLogP3.61
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide
CID 99808378
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide
CID 120891003
cis-(1S,2R)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95238146
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(1-phenylcyclopentyl)methyl]pyrrolidine-3-carboxamide
CID 120920463
2-methyl-3-[[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]-2-phenylpropanoic acid
CID 120701552
(2S)-2-[[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 119237864
4-[2-[[(2S,3R)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]ethyl]benzoic acid
CID 125151949
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 120920625
(2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120625678
1-methyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide
CID 86957597
(2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120625677
(2S,3R)-2-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid
CID 95358886

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide (CID 99808377) is (2R,3R)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide is CN1C(=O)CC[C@@H](C(=O)NCC2(c3cccc(Cl)c3)CCCC2)[C@@H]1c1cnn(C)c1.
What is the InChIKey of (2R,3R)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is AKXBIOIPDSJHIC-CTNGQTDRSA-N. The full InChI is InChI=1S/C23H29ClN4O2/c1-27-14-16(13-26-27)21-19(8-9-20(29)28(21)2)22(30)25-15-23(10-3-4-11-23)17-6-5-7-18(24)12-17/h5-7,12-14,19,21H,3-4,8-11,15H2,1-2H3,(H,25,30)/t19-,21+/m1/s1.
What are the key properties of (2R,3R)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide?
(2R,3R)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 428.96 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 99808377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).