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

C22H24N4O2S — CID 42566316

IUPAC(2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)c3ccsc3)cc2)n1
InChIInChI=1S/C22H24N4O2S/c1-15-13-16(2)26(24-15)19-8-6-18(7-9-19)23-21(27)20-5-3-4-11-25(20)22(28)17-10-12-29-14-17/h6-10,12-14,20H,3-5,11H2,1-2H3,(H,23,27)/t20-/m0/s1
InChIKeyJKURXWIOBOHTGA-FQEVSTJZSA-N
MW408.53 g/mol
LogP4.18
Rot. Bonds4

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

(2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-2-carboxamide (PubChem CID 42566316) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is (2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-2-carboxamide
PubChem CID42566316
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name(2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)c3ccsc3)cc2)n1
InChIInChI=1S/C22H24N4O2S/c1-15-13-16(2)26(24-15)19-8-6-18(7-9-19)23-21(27)20-5-3-4-11-25(20)22(28)17-10-12-29-14-17/h6-10,12-14,20H,3-5,11H2,1-2H3,(H,23,27)/t20-/m0/s1
InChIKeyJKURXWIOBOHTGA-FQEVSTJZSA-N
XLogP4.18
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1,3-thiazole-4-carbonyl)piperidine-2-carboxamide
CID 45201340
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide
CID 24794128
(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
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidine-2-carboxamide
CID 45174140
(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
N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
CID 45245345
(2S)-1-(thiophene-3-carbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(thiophene-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768765
1-(thiophene-3-carbonyl)-N-[4-[(E)-2-[4-[[1-(thiophene-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 15980480
(2S)-1-(cyclopropylmethyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 42377399
(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxyethyl)piperidine-2-carboxamide
CID 97280925

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-2-carboxamide (CID 42566316) is (2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-2-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)c3ccsc3)cc2)n1.
What is the InChIKey of (2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-2-carboxamide?
The InChIKey is JKURXWIOBOHTGA-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-15-13-16(2)26(24-15)19-8-6-18(7-9-19)23-21(27)20-5-3-4-11-25(20)22(28)17-10-12-29-14-17/h6-10,12-14,20H,3-5,11H2,1-2H3,(H,23,27)/t20-/m0/s1.
What are the key properties of (2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-2-carboxamide?
(2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-2-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 42566316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).