2-(4-methylphenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone

C16H20N4O — CID 116567852

IUPAC2-(4-methylphenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone
SMILESCc1ccc(CC(=O)c2cn(C3CCNCC3)nn2)cc1
InChIInChI=1S/C16H20N4O/c1-12-2-4-13(5-3-12)10-16(21)15-11-20(19-18-15)14-6-8-17-9-7-14/h2-5,11,14,17H,6-10H2,1H3
InChIKeyWDRGKHAPMZKSRU-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.94
Rot. Bonds4

About 2-(4-methylphenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone

2-(4-methylphenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone (PubChem CID 116567852) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone
PubChem CID116567852
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(4-methylphenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone
SMILESCc1ccc(CC(=O)c2cn(C3CCNCC3)nn2)cc1
InChIInChI=1S/C16H20N4O/c1-12-2-4-13(5-3-12)10-16(21)15-11-20(19-18-15)14-6-8-17-9-7-14/h2-5,11,14,17H,6-10H2,1H3
InChIKeyWDRGKHAPMZKSRU-UHFFFAOYSA-N
XLogP1.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone
CID 116567853
1-[1-(azetidin-3-yl)triazol-4-yl]-2-(4-fluorophenyl)ethanone
CID 116590597
3-(1-methylpyrazol-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)propan-1-one
CID 103023689
N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119709513
N-[3-(4-methylphenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119757238
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119887634
2-(oxan-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone
CID 116567860
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119669252
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
N-[(4-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675797
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119715413

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone (CID 116567852) is 2-(4-methylphenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone is Cc1ccc(CC(=O)c2cn(C3CCNCC3)nn2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone?
The InChIKey is WDRGKHAPMZKSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-2-4-13(5-3-12)10-16(21)15-11-20(19-18-15)14-6-8-17-9-7-14/h2-5,11,14,17H,6-10H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone?
2-(4-methylphenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone has a molecular weight of 284.36 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone is sourced from PubChem (CID 116567852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).