(4-benzylpiperidin-1-yl)-[3-(1,3-dimethylpyrazol-4-yl)phenyl]methanone

C24H27N3O — CID 118793349

IUPAC(4-benzylpiperidin-1-yl)-[3-(1,3-dimethylpyrazol-4-yl)phenyl]methanone
SMILESCc1nn(C)cc1-c1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C24H27N3O/c1-18-23(17-26(2)25-18)21-9-6-10-22(16-21)24(28)27-13-11-20(12-14-27)15-19-7-4-3-5-8-19/h3-10,16-17,20H,11-15H2,1-2H3
InChIKeyDCTZEXLUMNRBSS-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.49
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-[3-(1,3-dimethylpyrazol-4-yl)phenyl]methanone

(4-benzylpiperidin-1-yl)-[3-(1,3-dimethylpyrazol-4-yl)phenyl]methanone (PubChem CID 118793349) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[3-(1,3-dimethylpyrazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[3-(1,3-dimethylpyrazol-4-yl)phenyl]methanone
PubChem CID118793349
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name(4-benzylpiperidin-1-yl)-[3-(1,3-dimethylpyrazol-4-yl)phenyl]methanone
SMILESCc1nn(C)cc1-c1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C24H27N3O/c1-18-23(17-26(2)25-18)21-9-6-10-22(16-21)24(28)27-13-11-20(12-14-27)15-19-7-4-3-5-8-19/h3-10,16-17,20H,11-15H2,1-2H3
InChIKeyDCTZEXLUMNRBSS-UHFFFAOYSA-N
XLogP4.49
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-benzylpiperidin-1-yl)-[3-(1,3-dimethylpyrazol-4-yl)phenyl]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

(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777
(3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102766
2-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 23515885
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
3-(4-benzylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109051316
(4-benzylpiperidin-1-yl)-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
CID 99289952
(4-benzylpiperidin-1-yl)-(6-methyl-3-phenylcinnolin-4-yl)methanone
CID 46288120
(4-benzylpiperidin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]methanone
CID 22523470
(4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 78791820
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692348
(4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone
CID 46341627

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[3-(1,3-dimethylpyrazol-4-yl)phenyl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[3-(1,3-dimethylpyrazol-4-yl)phenyl]methanone (CID 118793349) is (4-benzylpiperidin-1-yl)-[3-(1,3-dimethylpyrazol-4-yl)phenyl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[3-(1,3-dimethylpyrazol-4-yl)phenyl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[3-(1,3-dimethylpyrazol-4-yl)phenyl]methanone is Cc1nn(C)cc1-c1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[3-(1,3-dimethylpyrazol-4-yl)phenyl]methanone?
The InChIKey is DCTZEXLUMNRBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-18-23(17-26(2)25-18)21-9-6-10-22(16-21)24(28)27-13-11-20(12-14-27)15-19-7-4-3-5-8-19/h3-10,16-17,20H,11-15H2,1-2H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[3-(1,3-dimethylpyrazol-4-yl)phenyl]methanone?
(4-benzylpiperidin-1-yl)-[3-(1,3-dimethylpyrazol-4-yl)phenyl]methanone has a molecular weight of 373.50 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[3-(1,3-dimethylpyrazol-4-yl)phenyl]methanone is sourced from PubChem (CID 118793349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).