N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C19H24ClN5O — CID 119689369

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC(c2ccc(Cl)cc2)C2CC2)nnn1C1CCNCC1
InChIInChI=1S/C19H24ClN5O/c1-12-17(23-24-25(12)16-8-10-21-11-9-16)19(26)22-18(13-2-3-13)14-4-6-15(20)7-5-14/h4-7,13,16,18,21H,2-3,8-11H2,1H3,(H,22,26)
InChIKeyUXGKAAASBWBEAP-UHFFFAOYSA-N
MW373.89 g/mol
LogP3.05
Rot. Bonds5

About N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119689369) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119689369
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC(c2ccc(Cl)cc2)C2CC2)nnn1C1CCNCC1
InChIInChI=1S/C19H24ClN5O/c1-12-17(23-24-25(12)16-8-10-21-11-9-16)19(26)22-18(13-2-3-13)14-4-6-15(20)7-5-14/h4-7,13,16,18,21H,2-3,8-11H2,1H3,(H,22,26)
InChIKeyUXGKAAASBWBEAP-UHFFFAOYSA-N
XLogP3.05
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119689368
N-[cyclopentyl-(4-fluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119735344
N-[1-(4-chlorophenyl)-3-methylbutyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119799876
N-[cyclopentyl-(2-fluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119815699
N-[1-(3-chlorophenyl)propyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119716504
5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119678385
N-[3-(4-chlorophenyl)butan-2-yl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119807677
N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119692408
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119692488
N-(2-acetamido-4-chlorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119760851
N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688023
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119689369) is N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)NC(c2ccc(Cl)cc2)C2CC2)nnn1C1CCNCC1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is UXGKAAASBWBEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O/c1-12-17(23-24-25(12)16-8-10-21-11-9-16)19(26)22-18(13-2-3-13)14-4-6-15(20)7-5-14/h4-7,13,16,18,21H,2-3,8-11H2,1H3,(H,22,26).
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 373.89 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119689369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).