1-(3-chlorophenyl)-N-piperidin-3-yl-5-propyltriazole-4-carboxamide

C17H22ClN5O — CID 119426032

IUPAC1-(3-chlorophenyl)-N-piperidin-3-yl-5-propyltriazole-4-carboxamide
SMILESCCCc1c(C(=O)NC2CCCNC2)nnn1-c1cccc(Cl)c1
InChIInChI=1S/C17H22ClN5O/c1-2-5-15-16(17(24)20-13-7-4-9-19-11-13)21-22-23(15)14-8-3-6-12(18)10-14/h3,6,8,10,13,19H,2,4-5,7,9,11H2,1H3,(H,20,24)
InChIKeyZRLWBMXTDNEYBH-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.36
Rot. Bonds5

About 1-(3-chlorophenyl)-N-piperidin-3-yl-5-propyltriazole-4-carboxamide

1-(3-chlorophenyl)-N-piperidin-3-yl-5-propyltriazole-4-carboxamide (PubChem CID 119426032) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-piperidin-3-yl-5-propyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-piperidin-3-yl-5-propyltriazole-4-carboxamide
PubChem CID119426032
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC Name1-(3-chlorophenyl)-N-piperidin-3-yl-5-propyltriazole-4-carboxamide
SMILESCCCc1c(C(=O)NC2CCCNC2)nnn1-c1cccc(Cl)c1
InChIInChI=1S/C17H22ClN5O/c1-2-5-15-16(17(24)20-13-7-4-9-19-11-13)21-22-23(15)14-8-3-6-12(18)10-14/h3,6,8,10,13,19H,2,4-5,7,9,11H2,1H3,(H,20,24)
InChIKeyZRLWBMXTDNEYBH-UHFFFAOYSA-N
XLogP2.36
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-5-ethyl-N-piperidin-3-yltriazole-4-carboxamide
CID 119424738
1-(3-chlorophenyl)-5-ethyl-N-piperidin-3-yltriazole-4-carboxamide;hydrochloride
CID 119424737
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide;hydrochloride
CID 119476108
1-(3-chlorophenyl)-5-ethyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide
CID 119555457
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489805
cis-(1S,3R)-3-[[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675762
N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide
CID 119995437
N-cyclopropyl-1-[4-(cyclopropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide
CID 68513644
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119645711
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577915
[3-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-5-propyltriazol-4-yl]methanone;hydrochloride
CID 119594219
2-[[1-(3-chlorophenyl)-5-propyltriazole-4-carbonyl]-methylamino]acetic acid
CID 119346735

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-piperidin-3-yl-5-propyltriazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-piperidin-3-yl-5-propyltriazole-4-carboxamide (CID 119426032) is 1-(3-chlorophenyl)-N-piperidin-3-yl-5-propyltriazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-piperidin-3-yl-5-propyltriazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-piperidin-3-yl-5-propyltriazole-4-carboxamide is CCCc1c(C(=O)NC2CCCNC2)nnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-piperidin-3-yl-5-propyltriazole-4-carboxamide?
The InChIKey is ZRLWBMXTDNEYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-2-5-15-16(17(24)20-13-7-4-9-19-11-13)21-22-23(15)14-8-3-6-12(18)10-14/h3,6,8,10,13,19H,2,4-5,7,9,11H2,1H3,(H,20,24).
What are the key properties of 1-(3-chlorophenyl)-N-piperidin-3-yl-5-propyltriazole-4-carboxamide?
1-(3-chlorophenyl)-N-piperidin-3-yl-5-propyltriazole-4-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-piperidin-3-yl-5-propyltriazole-4-carboxamide is sourced from PubChem (CID 119426032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).