1-(3,3-diphenylpiperidin-1-yl)-4-(1,2,4-triazol-1-yl)butan-1-one

C23H26N4O — CID 72854237

IUPAC1-(3,3-diphenylpiperidin-1-yl)-4-(1,2,4-triazol-1-yl)butan-1-one
SMILESO=C(CCCn1cncn1)N1CCCC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C23H26N4O/c28-22(13-7-16-27-19-24-18-25-27)26-15-8-14-23(17-26,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-12,18-19H,7-8,13-17H2
InChIKeyOFVCUEFXQGYWPG-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.67
Rot. Bonds6

About 1-(3,3-diphenylpiperidin-1-yl)-4-(1,2,4-triazol-1-yl)butan-1-one

1-(3,3-diphenylpiperidin-1-yl)-4-(1,2,4-triazol-1-yl)butan-1-one (PubChem CID 72854237) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-(3,3-diphenylpiperidin-1-yl)-4-(1,2,4-triazol-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(3,3-diphenylpiperidin-1-yl)-4-(1,2,4-triazol-1-yl)butan-1-one
PubChem CID72854237
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name1-(3,3-diphenylpiperidin-1-yl)-4-(1,2,4-triazol-1-yl)butan-1-one
SMILESO=C(CCCn1cncn1)N1CCCC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C23H26N4O/c28-22(13-7-16-27-19-24-18-25-27)26-15-8-14-23(17-26,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-12,18-19H,7-8,13-17H2
InChIKeyOFVCUEFXQGYWPG-UHFFFAOYSA-N
XLogP3.67
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,3-diphenylpiperidin-1-yl)-4-(1,2,4-triazol-1-yl)butan-1-one 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

ethyl (3R)-3-[(2-methylphenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidine-3-carboxylate
CID 26401868
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 110899700
1-(3-methyl-4-phenylpiperazin-1-yl)-4-(1,2,4-triazol-1-yl)butan-1-one
CID 136567714
(3R,4R)-4-hydroxy-3-(3-phenylpropyl)-1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidine-3-carboxylic acid
CID 155912950
1-benzyl-8-[4-(1,2,4-triazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165419853
1-[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-4-(1,2,4-triazol-1-yl)butan-1-one;hydrochloride
CID 171317206
1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 110899775
7-(cyclopropylmethyl)-2-[4-(1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72866575
(5S)-7-(cyclopropylmethyl)-2-[4-(1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97122045
1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 70734448
1-(3,3-diphenylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 72933718
1-[(3R)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 96534653

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpiperidin-1-yl)-4-(1,2,4-triazol-1-yl)butan-1-one?
The IUPAC name of 1-(3,3-diphenylpiperidin-1-yl)-4-(1,2,4-triazol-1-yl)butan-1-one (CID 72854237) is 1-(3,3-diphenylpiperidin-1-yl)-4-(1,2,4-triazol-1-yl)butan-1-one.
What is the SMILES notation for 1-(3,3-diphenylpiperidin-1-yl)-4-(1,2,4-triazol-1-yl)butan-1-one?
The canonical SMILES for 1-(3,3-diphenylpiperidin-1-yl)-4-(1,2,4-triazol-1-yl)butan-1-one is O=C(CCCn1cncn1)N1CCCC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 1-(3,3-diphenylpiperidin-1-yl)-4-(1,2,4-triazol-1-yl)butan-1-one?
The InChIKey is OFVCUEFXQGYWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c28-22(13-7-16-27-19-24-18-25-27)26-15-8-14-23(17-26,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-12,18-19H,7-8,13-17H2.
What are the key properties of 1-(3,3-diphenylpiperidin-1-yl)-4-(1,2,4-triazol-1-yl)butan-1-one?
1-(3,3-diphenylpiperidin-1-yl)-4-(1,2,4-triazol-1-yl)butan-1-one has a molecular weight of 374.49 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpiperidin-1-yl)-4-(1,2,4-triazol-1-yl)butan-1-one is sourced from PubChem (CID 72854237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).