(3R)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-thiophen-3-ylpiperidine-1-carboxamide

C15H19N5OS — CID 97349966

IUPAC(3R)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-thiophen-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccsc1)N1CCC[C@@H](c2nncn2C2CC2)C1
InChIInChI=1S/C15H19N5OS/c21-15(17-12-5-7-22-9-12)19-6-1-2-11(8-19)14-18-16-10-20(14)13-3-4-13/h5,7,9-11,13H,1-4,6,8H2,(H,17,21)/t11-/m1/s1
InChIKeyCOCLSRNDWVSZCA-LLVKDONJSA-N
MW317.42 g/mol
LogP3.09
Rot. Bonds3

About (3R)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-thiophen-3-ylpiperidine-1-carboxamide

(3R)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-thiophen-3-ylpiperidine-1-carboxamide (PubChem CID 97349966) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is (3R)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-thiophen-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-thiophen-3-ylpiperidine-1-carboxamide
PubChem CID97349966
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name(3R)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-thiophen-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccsc1)N1CCC[C@@H](c2nncn2C2CC2)C1
InChIInChI=1S/C15H19N5OS/c21-15(17-12-5-7-22-9-12)19-6-1-2-11(8-19)14-18-16-10-20(14)13-3-4-13/h5,7,9-11,13H,1-4,6,8H2,(H,17,21)/t11-/m1/s1
InChIKeyCOCLSRNDWVSZCA-LLVKDONJSA-N
XLogP3.09
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2-ethylpyrimidin-5-yl)piperidine-1-carboxamide
CID 75502081
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 75400112
[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 53192735
N-[4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 86935480
(3S)-3-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-[(R)-methylsulfinyl]phenyl]piperidine-1-carboxamide
CID 97334567
N-[5-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 86935485
[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[5-(dimethylamino)-2-pyridinyl]methanone
CID 138044699
(3S)-3-[(4-pyridin-4-yltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
CID 31042566
(3S)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97349988
1-[(3S)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 124554934
2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide
CID 71922454
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 94172075

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-thiophen-3-ylpiperidine-1-carboxamide?
The IUPAC name of (3R)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-thiophen-3-ylpiperidine-1-carboxamide (CID 97349966) is (3R)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-thiophen-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-thiophen-3-ylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-thiophen-3-ylpiperidine-1-carboxamide is O=C(Nc1ccsc1)N1CCC[C@@H](c2nncn2C2CC2)C1.
What is the InChIKey of (3R)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-thiophen-3-ylpiperidine-1-carboxamide?
The InChIKey is COCLSRNDWVSZCA-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N5OS/c21-15(17-12-5-7-22-9-12)19-6-1-2-11(8-19)14-18-16-10-20(14)13-3-4-13/h5,7,9-11,13H,1-4,6,8H2,(H,17,21)/t11-/m1/s1.
What are the key properties of (3R)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-thiophen-3-ylpiperidine-1-carboxamide?
(3R)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-thiophen-3-ylpiperidine-1-carboxamide has a molecular weight of 317.42 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-thiophen-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 97349966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).