N-(2-chloro-5-methylphenyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C16H20ClN5O — CID 75441233

IUPACN-(2-chloro-5-methylphenyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCc1ccc(Cl)c(NC(=O)N2CCC(c3nncn3C)CC2)c1
InChIInChI=1S/C16H20ClN5O/c1-11-3-4-13(17)14(9-11)19-16(23)22-7-5-12(6-8-22)15-20-18-10-21(15)2/h3-4,9-10,12H,5-8H2,1-2H3,(H,19,23)
InChIKeyLKXTXDWRGQTMBD-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.19
Rot. Bonds2

About N-(2-chloro-5-methylphenyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

N-(2-chloro-5-methylphenyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 75441233) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID75441233
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC NameN-(2-chloro-5-methylphenyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCc1ccc(Cl)c(NC(=O)N2CCC(c3nncn3C)CC2)c1
InChIInChI=1S/C16H20ClN5O/c1-11-3-4-13(17)14(9-11)19-16(23)22-7-5-12(6-8-22)15-20-18-10-21(15)2/h3-4,9-10,12H,5-8H2,1-2H3,(H,19,23)
InChIKeyLKXTXDWRGQTMBD-UHFFFAOYSA-N
XLogP3.19
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-methylphenyl)-3-(3-cyclopropyl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide
CID 91914761
N-[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97070094
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 95841300
methyl 3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropanoate
CID 134069581
N-(furan-2-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 154773668
(2R)-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide
CID 129341240
N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide
CID 70795609
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 112835991
N-(2-chloro-5-methylphenyl)-2,2-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 126788392
2-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79610817
N-(2-chloro-4-methylphenyl)azocane-1-carboxamide
CID 17180409
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 112834941

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 75441233) is N-(2-chloro-5-methylphenyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is Cc1ccc(Cl)c(NC(=O)N2CCC(c3nncn3C)CC2)c1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is LKXTXDWRGQTMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-11-3-4-13(17)14(9-11)19-16(23)22-7-5-12(6-8-22)15-20-18-10-21(15)2/h3-4,9-10,12H,5-8H2,1-2H3,(H,19,23).
What are the key properties of N-(2-chloro-5-methylphenyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-(2-chloro-5-methylphenyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 75441233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).