(1-benzoylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

C22H23N3O2 — CID 122703586

IUPAC(1-benzoylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(c1ccccc1)N1CCC(C(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C22H23N3O2/c26-21(18-9-5-2-6-10-18)24-15-12-19(13-16-24)22(27)25-20(11-14-23-25)17-7-3-1-4-8-17/h1-10,14,19-20H,11-13,15-16H2
InChIKeyWWGCWYOBGRLVFI-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.50
Rot. Bonds3

About (1-benzoylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

(1-benzoylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (PubChem CID 122703586) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is (1-benzoylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.

Molecular Properties

Compound Name(1-benzoylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
PubChem CID122703586
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name(1-benzoylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(c1ccccc1)N1CCC(C(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C22H23N3O2/c26-21(18-9-5-2-6-10-18)24-15-12-19(13-16-24)22(27)25-20(11-14-23-25)17-7-3-1-4-8-17/h1-10,14,19-20H,11-13,15-16H2
InChIKeyWWGCWYOBGRLVFI-UHFFFAOYSA-N
XLogP3.50
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 2841175
Phenyl(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
CID 3063662
Cyclohexyl(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
CID 3078480
N'-(1-benzylpiperidin-4-ylidene)benzohydrazide
CID 746769
4-Phenyl-2-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-2H-pyridazin-3-one
CID 44269802
6-[4-(4-Cyclopentylpiperazine-1-carbonyl)phenyl]-2-methylpyridazin-3-one
CID 44539765
2-Methyl-6-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyridazin-3-one
CID 44539766
1-[4-(3-Phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone
CID 122703578
2,2,2-Trifluoro-1-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone
CID 122703611
1-[4-(3-Phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]propan-1-one
CID 122703671
Cyclohexyl-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]methanone
CID 122703723
1-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]ethanone
CID 124086061

Frequently Asked Questions

What is the IUPAC name of (1-benzoylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The IUPAC name of (1-benzoylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (CID 122703586) is (1-benzoylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.
What is the SMILES notation for (1-benzoylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The canonical SMILES for (1-benzoylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is O=C(c1ccccc1)N1CCC(C(=O)N2N=CCC2c2ccccc2)CC1.
What is the InChIKey of (1-benzoylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The InChIKey is WWGCWYOBGRLVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-21(18-9-5-2-6-10-18)24-15-12-19(13-16-24)22(27)25-20(11-14-23-25)17-7-3-1-4-8-17/h1-10,14,19-20H,11-13,15-16H2.
What are the key properties of (1-benzoylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
(1-benzoylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone has a molecular weight of 361.44 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is sourced from PubChem (CID 122703586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).