N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-3-carboxamide;hydrochloride

C15H20ClN5OS — CID 119276218

IUPACN-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.Cn1cnnc1Sc1ccc(NC(=O)C2CCCNC2)cc1
InChIInChI=1S/C15H19N5OS.ClH/c1-20-10-17-19-15(20)22-13-6-4-12(5-7-13)18-14(21)11-3-2-8-16-9-11;/h4-7,10-11,16H,2-3,8-9H2,1H3,(H,18,21);1H
InChIKeyKAMTZSJKWWZQBG-UHFFFAOYSA-N
MW353.88 g/mol
LogP2.33
Rot. Bonds4

About N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-3-carboxamide;hydrochloride

N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119276218) has the molecular formula C15H20ClN5OS and a molecular weight of 353.88 g/mol. Its IUPAC name is N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119276218
Molecular FormulaC15H20ClN5OS
Molecular Weight353.88 g/mol
Exact Mass353.11
IUPAC NameN-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.Cn1cnnc1Sc1ccc(NC(=O)C2CCCNC2)cc1
InChIInChI=1S/C15H19N5OS.ClH/c1-20-10-17-19-15(20)22-13-6-4-12(5-7-13)18-14(21)11-3-2-8-16-9-11;/h4-7,10-11,16H,2-3,8-9H2,1H3,(H,18,21);1H
InChIKeyKAMTZSJKWWZQBG-UHFFFAOYSA-N
XLogP2.33
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119698805
N-(4-tert-butylsulfanylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119315518
N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119310188
(3R)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-3-carboxamide
CID 81118211
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide
CID 43706685
N-[4-(difluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
CID 43698982
N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119698810
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
CID 43706301
(3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide
CID 28807399
2-amino-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785169
(3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 28807397
(3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 81119070

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-3-carboxamide;hydrochloride (CID 119276218) is N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-3-carboxamide;hydrochloride is Cl.Cn1cnnc1Sc1ccc(NC(=O)C2CCCNC2)cc1.
What is the InChIKey of N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is KAMTZSJKWWZQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS.ClH/c1-20-10-17-19-15(20)22-13-6-4-12(5-7-13)18-14(21)11-3-2-8-16-9-11;/h4-7,10-11,16H,2-3,8-9H2,1H3,(H,18,21);1H.
What are the key properties of N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-3-carboxamide;hydrochloride?
N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 353.88 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119276218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).