1-[1-(3-chlorophenyl)-5-propyltriazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid

C19H23ClN4O3 — CID 122119754

IUPAC1-[1-(3-chlorophenyl)-5-propyltriazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCCc1c(C(=O)N2CC(C)CC(C(=O)O)C2)nnn1-c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN4O3/c1-3-5-16-17(21-22-24(16)15-7-4-6-14(20)9-15)18(25)23-10-12(2)8-13(11-23)19(26)27/h4,6-7,9,12-13H,3,5,8,10-11H2,1-2H3,(H,26,27)
InChIKeyHRANJGWLPXWARO-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.06
Rot. Bonds5

About 1-[1-(3-chlorophenyl)-5-propyltriazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid

1-[1-(3-chlorophenyl)-5-propyltriazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122119754) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)-5-propyltriazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)-5-propyltriazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122119754
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name1-[1-(3-chlorophenyl)-5-propyltriazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCCc1c(C(=O)N2CC(C)CC(C(=O)O)C2)nnn1-c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN4O3/c1-3-5-16-17(21-22-24(16)15-7-4-6-14(20)9-15)18(25)23-10-12(2)8-13(11-23)19(26)27/h4,6-7,9,12-13H,3,5,8,10-11H2,1-2H3,(H,26,27)
InChIKeyHRANJGWLPXWARO-UHFFFAOYSA-N
XLogP3.06
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(3-chlorophenyl)-5-propyltriazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577915
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489805
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119645711
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119539873
[3-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-5-propyltriazol-4-yl]methanone;hydrochloride
CID 119594219
(3S)-1-[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]pyrrolidine-3-carboxamide
CID 95179936
2-[[1-(3-chlorophenyl)-5-propyltriazole-4-carbonyl]-methylamino]acetic acid
CID 119346735
cis-(1S,3R)-3-[[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675762
1-[[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102762
[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395236
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide;hydrochloride
CID 119476108
1-(3-chlorophenyl)-N-piperidin-3-yl-5-propyltriazole-4-carboxamide
CID 119426032

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)-5-propyltriazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(3-chlorophenyl)-5-propyltriazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid (CID 122119754) is 1-[1-(3-chlorophenyl)-5-propyltriazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(3-chlorophenyl)-5-propyltriazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(3-chlorophenyl)-5-propyltriazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid is CCCc1c(C(=O)N2CC(C)CC(C(=O)O)C2)nnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)-5-propyltriazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is HRANJGWLPXWARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-3-5-16-17(21-22-24(16)15-7-4-6-14(20)9-15)18(25)23-10-12(2)8-13(11-23)19(26)27/h4,6-7,9,12-13H,3,5,8,10-11H2,1-2H3,(H,26,27).
What are the key properties of 1-[1-(3-chlorophenyl)-5-propyltriazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid?
1-[1-(3-chlorophenyl)-5-propyltriazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 390.87 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)-5-propyltriazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122119754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).