(3-chloro-4-methylphenyl)-(1-piperidin-4-yltriazol-4-yl)methanone

C15H17ClN4O — CID 107561271

IUPAC(3-chloro-4-methylphenyl)-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESCc1ccc(C(=O)c2cn(C3CCNCC3)nn2)cc1Cl
InChIInChI=1S/C15H17ClN4O/c1-10-2-3-11(8-13(10)16)15(21)14-9-20(19-18-14)12-4-6-17-7-5-12/h2-3,8-9,12,17H,4-7H2,1H3
InChIKeyYVLFAGQAJNBGLP-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.40
Rot. Bonds3

About (3-chloro-4-methylphenyl)-(1-piperidin-4-yltriazol-4-yl)methanone

(3-chloro-4-methylphenyl)-(1-piperidin-4-yltriazol-4-yl)methanone (PubChem CID 107561271) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(1-piperidin-4-yltriazol-4-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(1-piperidin-4-yltriazol-4-yl)methanone
PubChem CID107561271
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name(3-chloro-4-methylphenyl)-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESCc1ccc(C(=O)c2cn(C3CCNCC3)nn2)cc1Cl
InChIInChI=1S/C15H17ClN4O/c1-10-2-3-11(8-13(10)16)15(21)14-9-20(19-18-14)12-4-6-17-7-5-12/h2-3,8-9,12,17H,4-7H2,1H3
InChIKeyYVLFAGQAJNBGLP-UHFFFAOYSA-N
XLogP2.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-chloro-4-methylphenyl)-(1-piperidin-4-yltriazol-4-yl)methanone 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

(2-chloro-5-fluorophenyl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 105396445
N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119704614
N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119669252
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282984
N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119709473
N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119685991
(4-chloro-2,3-dihydroindol-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119788759
N-(2-methyl-5-nitrophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670857
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119672434
2-(4-methylphenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone
CID 116567852

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(1-piperidin-4-yltriazol-4-yl)methanone?
The IUPAC name of (3-chloro-4-methylphenyl)-(1-piperidin-4-yltriazol-4-yl)methanone (CID 107561271) is (3-chloro-4-methylphenyl)-(1-piperidin-4-yltriazol-4-yl)methanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(1-piperidin-4-yltriazol-4-yl)methanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-(1-piperidin-4-yltriazol-4-yl)methanone is Cc1ccc(C(=O)c2cn(C3CCNCC3)nn2)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-(1-piperidin-4-yltriazol-4-yl)methanone?
The InChIKey is YVLFAGQAJNBGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-10-2-3-11(8-13(10)16)15(21)14-9-20(19-18-14)12-4-6-17-7-5-12/h2-3,8-9,12,17H,4-7H2,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-(1-piperidin-4-yltriazol-4-yl)methanone?
(3-chloro-4-methylphenyl)-(1-piperidin-4-yltriazol-4-yl)methanone has a molecular weight of 304.78 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(1-piperidin-4-yltriazol-4-yl)methanone is sourced from PubChem (CID 107561271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).