1-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)-5-propyl-1,2,4-triazole-3-carboxamide

C18H24ClN5O — CID 119463941

IUPAC1-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)-5-propyl-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)NCC2CCCNC2)nn1-c1ccccc1Cl
InChIInChI=1S/C18H24ClN5O/c1-2-6-16-22-17(18(25)21-12-13-7-5-10-20-11-13)23-24(16)15-9-4-3-8-14(15)19/h3-4,8-9,13,20H,2,5-7,10-12H2,1H3,(H,21,25)
InChIKeyBBFAJWIRHXUGMZ-UHFFFAOYSA-N
MW361.88 g/mol
LogP2.60
Rot. Bonds6

About 1-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)-5-propyl-1,2,4-triazole-3-carboxamide

1-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)-5-propyl-1,2,4-triazole-3-carboxamide (PubChem CID 119463941) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)-5-propyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)-5-propyl-1,2,4-triazole-3-carboxamide
PubChem CID119463941
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC Name1-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)-5-propyl-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)NCC2CCCNC2)nn1-c1ccccc1Cl
InChIInChI=1S/C18H24ClN5O/c1-2-6-16-22-17(18(25)21-12-13-7-5-10-20-11-13)23-24(16)15-9-4-3-8-14(15)19/h3-4,8-9,13,20H,2,5-7,10-12H2,1H3,(H,21,25)
InChIKeyBBFAJWIRHXUGMZ-UHFFFAOYSA-N
XLogP2.60
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-dichlorophenyl)-5-methyl-N-(piperidin-3-ylmethyl)-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119464610
1-(2-chlorophenyl)-5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide
CID 120948347
1-(2-chlorophenyl)-5-cyclopropyl-N-(2-piperidin-3-ylethyl)-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119559444
N-(2-aminoethyl)-1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119385059
(4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-5-propyl-1,2,4-triazol-3-yl]methanone
CID 119376351
3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119460021
3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119462686
3-(2-chlorophenyl)-5-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 119462319
(3S,4S)-1-[1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122112436
1-(2-fluorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 119557786
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
2-(2,6-dichlorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 166358028

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)-5-propyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)-5-propyl-1,2,4-triazole-3-carboxamide (CID 119463941) is 1-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)-5-propyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)-5-propyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)-5-propyl-1,2,4-triazole-3-carboxamide is CCCc1nc(C(=O)NCC2CCCNC2)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)-5-propyl-1,2,4-triazole-3-carboxamide?
The InChIKey is BBFAJWIRHXUGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O/c1-2-6-16-22-17(18(25)21-12-13-7-5-10-20-11-13)23-24(16)15-9-4-3-8-14(15)19/h3-4,8-9,13,20H,2,5-7,10-12H2,1H3,(H,21,25).
What are the key properties of 1-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)-5-propyl-1,2,4-triazole-3-carboxamide?
1-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)-5-propyl-1,2,4-triazole-3-carboxamide has a molecular weight of 361.88 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)-5-propyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 119463941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).