6-[(2,3-diphenyl-3,4-dihydropyrazol-5-yl)methyl]-4,4-dimethylpiperidin-2-one

C23H27N3O — CID 3065246

IUPAC6-[(2,3-diphenyl-3,4-dihydropyrazol-5-yl)methyl]-4,4-dimethylpiperidin-2-one
SMILESCC1(C)CC(=O)NC(CC2=NN(c3ccccc3)C(c3ccccc3)C2)C1
InChIInChI=1S/C23H27N3O/c1-23(2)15-19(24-22(27)16-23)13-18-14-21(17-9-5-3-6-10-17)26(25-18)20-11-7-4-8-12-20/h3-12,19,21H,13-16H2,1-2H3,(H,24,27)
InChIKeyBCLGUYVPBNKJSC-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.69
Rot. Bonds4

About 6-[(2,3-diphenyl-3,4-dihydropyrazol-5-yl)methyl]-4,4-dimethylpiperidin-2-one

6-[(2,3-diphenyl-3,4-dihydropyrazol-5-yl)methyl]-4,4-dimethylpiperidin-2-one (PubChem CID 3065246) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 6-[(2,3-diphenyl-3,4-dihydropyrazol-5-yl)methyl]-4,4-dimethylpiperidin-2-one.

Molecular Properties

Compound Name6-[(2,3-diphenyl-3,4-dihydropyrazol-5-yl)methyl]-4,4-dimethylpiperidin-2-one
PubChem CID3065246
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name6-[(2,3-diphenyl-3,4-dihydropyrazol-5-yl)methyl]-4,4-dimethylpiperidin-2-one
SMILESCC1(C)CC(=O)NC(CC2=NN(c3ccccc3)C(c3ccccc3)C2)C1
InChIInChI=1S/C23H27N3O/c1-23(2)15-19(24-22(27)16-23)13-18-14-21(17-9-5-3-6-10-17)26(25-18)20-11-7-4-8-12-20/h3-12,19,21H,13-16H2,1-2H3,(H,24,27)
InChIKeyBCLGUYVPBNKJSC-UHFFFAOYSA-N
XLogP4.69
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-{4-[3-(4-acetylpiperazin-1-yl)propyl]-1-(2-fluorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-3-yl}ethan-1-one
CID 11626574
Acetamide, N-[4-(4,5-dihydro-1,5-diphenyl-1H-pyrazol-3-yl)phenyl]-
CID 3292253
3-Methyl-3-(3-methylamino-propyl)-1-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 44404250
3-Ethyl-3-(3-methylamino-propyl)-1-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 44404279
3-(3-Methylamino-propyl)-1-phenyl-3-propyl-3,4-dihydro-1H-quinolin-2-one
CID 44404285
6-({3-[(4-isopropylphenyl)amino]-1-piperidinyl}carbonyl)-2-methyl-4,5-dihydro-3(2H)-pyridazinone
CID 24817179
PD-85639
CID 132888
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(phenylmethyl)-
CID 12247715
2-Piperidinone, 6-((4,5-dihydro-5-phenyl-1H-pyrazol-3-yl)methyl)-4,4-dimethyl-
CID 3065245
2-Piperidinone, 6-((5-(4-chlorophenyl)-4,5-dihydro-1-phenyl-1H-pyrazol-3-yl)methyl)-4,4-dimethyl-
CID 3065247
3-[4-(benzylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 13812195
N-(2-tert-butylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 17522212

Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-diphenyl-3,4-dihydropyrazol-5-yl)methyl]-4,4-dimethylpiperidin-2-one?
The IUPAC name of 6-[(2,3-diphenyl-3,4-dihydropyrazol-5-yl)methyl]-4,4-dimethylpiperidin-2-one (CID 3065246) is 6-[(2,3-diphenyl-3,4-dihydropyrazol-5-yl)methyl]-4,4-dimethylpiperidin-2-one.
What is the SMILES notation for 6-[(2,3-diphenyl-3,4-dihydropyrazol-5-yl)methyl]-4,4-dimethylpiperidin-2-one?
The canonical SMILES for 6-[(2,3-diphenyl-3,4-dihydropyrazol-5-yl)methyl]-4,4-dimethylpiperidin-2-one is CC1(C)CC(=O)NC(CC2=NN(c3ccccc3)C(c3ccccc3)C2)C1.
What is the InChIKey of 6-[(2,3-diphenyl-3,4-dihydropyrazol-5-yl)methyl]-4,4-dimethylpiperidin-2-one?
The InChIKey is BCLGUYVPBNKJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-23(2)15-19(24-22(27)16-23)13-18-14-21(17-9-5-3-6-10-17)26(25-18)20-11-7-4-8-12-20/h3-12,19,21H,13-16H2,1-2H3,(H,24,27).
What are the key properties of 6-[(2,3-diphenyl-3,4-dihydropyrazol-5-yl)methyl]-4,4-dimethylpiperidin-2-one?
6-[(2,3-diphenyl-3,4-dihydropyrazol-5-yl)methyl]-4,4-dimethylpiperidin-2-one has a molecular weight of 361.49 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-diphenyl-3,4-dihydropyrazol-5-yl)methyl]-4,4-dimethylpiperidin-2-one is sourced from PubChem (CID 3065246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).