(3R)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-3-carboxamide

C14H17N5OS — CID 81118211

IUPAC(3R)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Sc2ncn[nH]2)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C14H17N5OS/c20-13(10-2-1-7-15-8-10)18-11-3-5-12(6-4-11)21-14-16-9-17-19-14/h3-6,9-10,15H,1-2,7-8H2,(H,18,20)(H,16,17,19)/t10-/m1/s1
InChIKeyBOKLTEDUZCNECV-SNVBAGLBSA-N
MW303.39 g/mol
LogP1.89
Rot. Bonds4

About (3R)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-3-carboxamide

(3R)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-3-carboxamide (PubChem CID 81118211) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is (3R)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-3-carboxamide
PubChem CID81118211
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name(3R)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Sc2ncn[nH]2)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C14H17N5OS/c20-13(10-2-1-7-15-8-10)18-11-3-5-12(6-4-11)21-14-16-9-17-19-14/h3-6,9-10,15H,1-2,7-8H2,(H,18,20)(H,16,17,19)/t10-/m1/s1
InChIKeyBOKLTEDUZCNECV-SNVBAGLBSA-N
XLogP1.89
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(difluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
CID 43698982
N-(4-tert-butylsulfanylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119315518
N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 43713244
N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119276218
N-(6-chloro-3-pyridinyl)piperidine-3-carboxamide
CID 81426071
(3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 28807397
N-[4-(1H-imidazol-2-yl)phenyl]piperidine-3-carboxamide
CID 110471952
(3R)-N-(1H-indazol-6-yl)piperidine-3-carboxamide
CID 81124265
(E)-3-[4-[[(3R)-piperidine-3-carbonyl]amino]phenyl]prop-2-enoic acid
CID 115342369
(3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide
CID 28807399
3-bromo-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide
CID 113385200
(3R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81123557

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-3-carboxamide (CID 81118211) is (3R)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(Sc2ncn[nH]2)cc1)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-3-carboxamide?
The InChIKey is BOKLTEDUZCNECV-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N5OS/c20-13(10-2-1-7-15-8-10)18-11-3-5-12(6-4-11)21-14-16-9-17-19-14/h3-6,9-10,15H,1-2,7-8H2,(H,18,20)(H,16,17,19)/t10-/m1/s1.
What are the key properties of (3R)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-3-carboxamide?
(3R)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-3-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 81118211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).