[4-methyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-phenylmethanone

C23H25N3O2 — CID 122703724

IUPAC[4-methyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-phenylmethanone
SMILESCC1(C(=O)N2N=CCC2c2ccccc2)CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H25N3O2/c1-23(13-16-25(17-14-23)21(27)19-10-6-3-7-11-19)22(28)26-20(12-15-24-26)18-8-4-2-5-9-18/h2-11,15,20H,12-14,16-17H2,1H3
InChIKeyNOGKFPJORCMNBC-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.89
Rot. Bonds3

About [4-methyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-phenylmethanone

[4-methyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-phenylmethanone (PubChem CID 122703724) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is [4-methyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-methyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-phenylmethanone
PubChem CID122703724
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name[4-methyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-phenylmethanone
SMILESCC1(C(=O)N2N=CCC2c2ccccc2)CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H25N3O2/c1-23(13-16-25(17-14-23)21(27)19-10-6-3-7-11-19)22(28)26-20(12-15-24-26)18-8-4-2-5-9-18/h2-11,15,20H,12-14,16-17H2,1H3
InChIKeyNOGKFPJORCMNBC-UHFFFAOYSA-N
XLogP3.89
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 131869061
CID 131869061
1-[4-(1H-imidazol-5-yl)-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone
CID 122703732
(3-phenyl-3,4-dihydropyrazol-2-yl)-[3-(1-phenylethylidene)azetidin-1-yl]methanone
CID 150480580
2,2-dimethyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)propan-1-one
CID 122703691
1-benzoyl-4-methylpiperidine-4-carbothioamide
CID 107160872
[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-piperazin-1-ylmethanone
CID 168806655
(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(pyrimidine-2-carbonyl)piperidin-4-yl]methanone
CID 122703779
1H-inden-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 157280431
[4-[4-(isoquinolin-8-ylmethyl)azepane-1-carbonyl]-4-methylpiperidin-1-yl]-phenylmethanone
CID 132767826
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115269824
[1-(6-chloropyridine-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 122703730
[1-(5-fluoropyridine-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 122703667

Frequently Asked Questions

What is the IUPAC name of [4-methyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-methyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-phenylmethanone (CID 122703724) is [4-methyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-methyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-methyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-phenylmethanone is CC1(C(=O)N2N=CCC2c2ccccc2)CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-methyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-phenylmethanone?
The InChIKey is NOGKFPJORCMNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-23(13-16-25(17-14-23)21(27)19-10-6-3-7-11-19)22(28)26-20(12-15-24-26)18-8-4-2-5-9-18/h2-11,15,20H,12-14,16-17H2,1H3.
What are the key properties of [4-methyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-phenylmethanone?
[4-methyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-phenylmethanone has a molecular weight of 375.47 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 122703724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).