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

C15H19Cl2N5OS — CID 119310188

IUPACN-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.Cn1cnnc1Sc1ccc(NC(=O)C2CCNCC2)cc1Cl
InChIInChI=1S/C15H18ClN5OS.ClH/c1-21-9-18-20-15(21)23-13-3-2-11(8-12(13)16)19-14(22)10-4-6-17-7-5-10;/h2-3,8-10,17H,4-7H2,1H3,(H,19,22);1H
InChIKeyIXEGQJOOXYCHGJ-UHFFFAOYSA-N
MW388.32 g/mol
LogP2.98
Rot. Bonds4

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

N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119310188) has the molecular formula C15H19Cl2N5OS and a molecular weight of 388.32 g/mol. Its IUPAC name is N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119310188
Molecular FormulaC15H19Cl2N5OS
Molecular Weight388.32 g/mol
Exact Mass387.07
IUPAC NameN-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.Cn1cnnc1Sc1ccc(NC(=O)C2CCNCC2)cc1Cl
InChIInChI=1S/C15H18ClN5OS.ClH/c1-21-9-18-20-15(21)23-13-3-2-11(8-12(13)16)19-14(22)10-4-6-17-7-5-10;/h2-3,8-10,17H,4-7H2,1H3,(H,19,22);1H
InChIKeyIXEGQJOOXYCHGJ-UHFFFAOYSA-N
XLogP2.98
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]pyrrolidine-2-carboxamide
CID 119310193
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CID 119760659
(2S,5R)-5-(aminomethyl)-N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]oxolane-2-carboxamide
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N-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide
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CID 119760650
N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-(methylamino)butanamide
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N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119276218
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CID 75369007
N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pyrrolidine-3-carboxamide
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N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 54862779
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
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3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride (CID 119310188) is N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride is Cl.Cn1cnnc1Sc1ccc(NC(=O)C2CCNCC2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is IXEGQJOOXYCHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5OS.ClH/c1-21-9-18-20-15(21)23-13-3-2-11(8-12(13)16)19-14(22)10-4-6-17-7-5-10;/h2-3,8-10,17H,4-7H2,1H3,(H,19,22);1H.
What are the key properties of N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride?
N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 388.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119310188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).