N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide

C23H24ClN5O2 — CID 60514601

IUPACN-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)Nc3n[nH]c(-c4ccccc4Cl)n3)C2)c1
InChIInChI=1S/C23H24ClN5O2/c1-14-10-15(2)12-17(11-14)22(31)29-9-5-6-16(13-29)21(30)26-23-25-20(27-28-23)18-7-3-4-8-19(18)24/h3-4,7-8,10-12,16H,5-6,9,13H2,1-2H3,(H2,25,26,27,28,30)
InChIKeyHTZRFBLBBGLZSC-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.23
Rot. Bonds4

About N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide

N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide (PubChem CID 60514601) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
PubChem CID60514601
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC NameN-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)Nc3n[nH]c(-c4ccccc4Cl)n3)C2)c1
InChIInChI=1S/C23H24ClN5O2/c1-14-10-15(2)12-17(11-14)22(31)29-9-5-6-16(13-29)21(30)26-23-25-20(27-28-23)18-7-3-4-8-19(18)24/h3-4,7-8,10-12,16H,5-6,9,13H2,1-2H3,(H2,25,26,27,28,30)
InChIKeyHTZRFBLBBGLZSC-UHFFFAOYSA-N
XLogP4.23
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(2-bromophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010502
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082860
N-(2-aminophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119422003
(3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082776
(3S)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide
CID 95176892
(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 94082819
1-(3,5-dimethylbenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 46491452
1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 46489523
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 51083875
(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082784
(3S)-N-(4-bromo-3-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082833
1-(3,5-dimethylbenzoyl)-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 138996186

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide (CID 60514601) is N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide is Cc1cc(C)cc(C(=O)N2CCCC(C(=O)Nc3n[nH]c(-c4ccccc4Cl)n3)C2)c1.
What is the InChIKey of N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The InChIKey is HTZRFBLBBGLZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c1-14-10-15(2)12-17(11-14)22(31)29-9-5-6-16(13-29)21(30)26-23-25-20(27-28-23)18-7-3-4-8-19(18)24/h3-4,7-8,10-12,16H,5-6,9,13H2,1-2H3,(H2,25,26,27,28,30).
What are the key properties of N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide has a molecular weight of 437.93 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 60514601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).