1-(3-chlorophenyl)-5-ethyl-N-piperidin-3-yltriazole-4-carboxamide

C16H20ClN5O — CID 119424738

IUPAC1-(3-chlorophenyl)-5-ethyl-N-piperidin-3-yltriazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCCNC2)nnn1-c1cccc(Cl)c1
InChIInChI=1S/C16H20ClN5O/c1-2-14-15(16(23)19-12-6-4-8-18-10-12)20-21-22(14)13-7-3-5-11(17)9-13/h3,5,7,9,12,18H,2,4,6,8,10H2,1H3,(H,19,23)
InChIKeyYEFTYOGTEHGMQV-UHFFFAOYSA-N
MW333.82 g/mol
LogP1.96
Rot. Bonds4

About 1-(3-chlorophenyl)-5-ethyl-N-piperidin-3-yltriazole-4-carboxamide

1-(3-chlorophenyl)-5-ethyl-N-piperidin-3-yltriazole-4-carboxamide (PubChem CID 119424738) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-ethyl-N-piperidin-3-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-ethyl-N-piperidin-3-yltriazole-4-carboxamide
PubChem CID119424738
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name1-(3-chlorophenyl)-5-ethyl-N-piperidin-3-yltriazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCCNC2)nnn1-c1cccc(Cl)c1
InChIInChI=1S/C16H20ClN5O/c1-2-14-15(16(23)19-12-6-4-8-18-10-12)20-21-22(14)13-7-3-5-11(17)9-13/h3,5,7,9,12,18H,2,4,6,8,10H2,1H3,(H,19,23)
InChIKeyYEFTYOGTEHGMQV-UHFFFAOYSA-N
XLogP1.96
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 51.96
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;hydrochloride
CID 119424737
1-(3-chlorophenyl)-N-piperidin-3-yl-5-propyltriazole-4-carboxamide
CID 119426032
1-(3-chlorophenyl)-5-ethyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide
CID 119555457
cis-(1S,3R)-3-[[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675762
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide;hydrochloride
CID 119476108
1-(3-chlorophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119451648
[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119622015
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-N-piperidin-3-yltriazole-4-carboxamide
CID 119424625
5-ethyl-N-piperidin-4-yl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
CID 119390482
[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395236
1-(3-chlorophenyl)-N-cyclopropyl-5-ethylpyrazole-4-carboxamide
CID 31900860
(3S)-1-[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]pyrrolidine-3-carboxamide
CID 95179936

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-ethyl-N-piperidin-3-yltriazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-ethyl-N-piperidin-3-yltriazole-4-carboxamide (CID 119424738) is 1-(3-chlorophenyl)-5-ethyl-N-piperidin-3-yltriazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-ethyl-N-piperidin-3-yltriazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-ethyl-N-piperidin-3-yltriazole-4-carboxamide is CCc1c(C(=O)NC2CCCNC2)nnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-ethyl-N-piperidin-3-yltriazole-4-carboxamide?
The InChIKey is YEFTYOGTEHGMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-2-14-15(16(23)19-12-6-4-8-18-10-12)20-21-22(14)13-7-3-5-11(17)9-13/h3,5,7,9,12,18H,2,4,6,8,10H2,1H3,(H,19,23).
What are the key properties of 1-(3-chlorophenyl)-5-ethyl-N-piperidin-3-yltriazole-4-carboxamide?
1-(3-chlorophenyl)-5-ethyl-N-piperidin-3-yltriazole-4-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-ethyl-N-piperidin-3-yltriazole-4-carboxamide is sourced from PubChem (CID 119424738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).