5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-2-carboxamide

C15H18N4O2S — CID 95287275

IUPAC5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-2-carboxamide
SMILESCc1cnn([C@@H]2CCCN(C(=O)c3ccc(C(N)=O)s3)C2)c1
InChIInChI=1S/C15H18N4O2S/c1-10-7-17-19(8-10)11-3-2-6-18(9-11)15(21)13-5-4-12(22-13)14(16)20/h4-5,7-8,11H,2-3,6,9H2,1H3,(H2,16,20)/t11-/m1/s1
InChIKeyDKWNMHXVCUHTQY-LLVKDONJSA-N
MW318.40 g/mol
LogP1.83
Rot. Bonds3

About 5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-2-carboxamide

5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-2-carboxamide (PubChem CID 95287275) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-2-carboxamide
PubChem CID95287275
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-2-carboxamide
SMILESCc1cnn([C@@H]2CCCN(C(=O)c3ccc(C(N)=O)s3)C2)c1
InChIInChI=1S/C15H18N4O2S/c1-10-7-17-19(8-10)11-3-2-6-18(9-11)15(21)13-5-4-12(22-13)14(16)20/h4-5,7-8,11H,2-3,6,9H2,1H3,(H2,16,20)/t11-/m1/s1
InChIKeyDKWNMHXVCUHTQY-LLVKDONJSA-N
XLogP1.83
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95383194
2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 119881436
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95297967
(2-aminophenyl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119947144
[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 95382851
(3-aminophenyl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119881469
5-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]thiophene-2-carboxamide
CID 95319281
5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95286731
3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]benzamide
CID 136543844
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 95382852
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95383312
(2-cyclopropyl-1,3-thiazol-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95280583

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-2-carboxamide?
The IUPAC name of 5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-2-carboxamide (CID 95287275) is 5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-2-carboxamide is Cc1cnn([C@@H]2CCCN(C(=O)c3ccc(C(N)=O)s3)C2)c1.
What is the InChIKey of 5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-2-carboxamide?
The InChIKey is DKWNMHXVCUHTQY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10-7-17-19(8-10)11-3-2-6-18(9-11)15(21)13-5-4-12(22-13)14(16)20/h4-5,7-8,11H,2-3,6,9H2,1H3,(H2,16,20)/t11-/m1/s1.
What are the key properties of 5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-2-carboxamide?
5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-2-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-2-carboxamide is sourced from PubChem (CID 95287275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).