(2S)-1-(cyclopropylmethyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide

C21H28N4O — CID 42377399

IUPAC(2S)-1-(cyclopropylmethyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3CC3CC3)cc2)n1
InChIInChI=1S/C21H28N4O/c1-15-13-16(2)25(23-15)19-10-8-18(9-11-19)22-21(26)20-5-3-4-12-24(20)14-17-6-7-17/h8-11,13,17,20H,3-7,12,14H2,1-2H3,(H,22,26)/t20-/m0/s1
InChIKeyXYXSEYPRBCEIRM-FQEVSTJZSA-N
MW352.48 g/mol
LogP3.69
Rot. Bonds5

About (2S)-1-(cyclopropylmethyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide

(2S)-1-(cyclopropylmethyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide (PubChem CID 42377399) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is (2S)-1-(cyclopropylmethyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(cyclopropylmethyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide
PubChem CID42377399
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name(2S)-1-(cyclopropylmethyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3CC3CC3)cc2)n1
InChIInChI=1S/C21H28N4O/c1-15-13-16(2)25(23-15)19-10-8-18(9-11-19)22-21(26)20-5-3-4-12-24(20)14-17-6-7-17/h8-11,13,17,20H,3-7,12,14H2,1-2H3,(H,22,26)/t20-/m0/s1
InChIKeyXYXSEYPRBCEIRM-FQEVSTJZSA-N
XLogP3.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxyethyl)piperidine-2-carboxamide
CID 97280925
(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-ethoxyethyl)piperidine-2-carboxamide
CID 97278533
(2S)-1-(3-acetamidopropanoyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 42461240
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thian-4-yl)piperidine-2-carboxamide
CID 45235295
(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxamide
CID 42404372
(2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxamide
CID 42404371
(2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-2-carboxamide
CID 42566316
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidine-2-carboxamide
CID 45174140
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide
CID 24794128
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1,3-thiazole-4-carbonyl)piperidine-2-carboxamide
CID 45201340
(3S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 37037042
(2R)-1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 119913895

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclopropylmethyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-(cyclopropylmethyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide (CID 42377399) is (2S)-1-(cyclopropylmethyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(cyclopropylmethyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-(cyclopropylmethyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3CC3CC3)cc2)n1.
What is the InChIKey of (2S)-1-(cyclopropylmethyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide?
The InChIKey is XYXSEYPRBCEIRM-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H28N4O/c1-15-13-16(2)25(23-15)19-10-8-18(9-11-19)22-21(26)20-5-3-4-12-24(20)14-17-6-7-17/h8-11,13,17,20H,3-7,12,14H2,1-2H3,(H,22,26)/t20-/m0/s1.
What are the key properties of (2S)-1-(cyclopropylmethyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide?
(2S)-1-(cyclopropylmethyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclopropylmethyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 42377399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).