2-(4-benzylpiperidin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone

C23H27N3O — CID 40769241

IUPAC2-(4-benzylpiperidin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESO=C(CN1CCC(Cc2ccccc2)CC1)N1N=CC[C@@H]1c1ccccc1
InChIInChI=1S/C23H27N3O/c27-23(26-22(11-14-24-26)21-9-5-2-6-10-21)18-25-15-12-20(13-16-25)17-19-7-3-1-4-8-19/h1-10,14,20,22H,11-13,15-18H2/t22-/m1/s1
InChIKeyXLNSAKYUEHNFKB-JOCHJYFZSA-N
MW361.49 g/mol
LogP3.90
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone

2-(4-benzylpiperidin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 40769241) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID40769241
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name2-(4-benzylpiperidin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESO=C(CN1CCC(Cc2ccccc2)CC1)N1N=CC[C@@H]1c1ccccc1
InChIInChI=1S/C23H27N3O/c27-23(26-22(11-14-24-26)21-9-5-2-6-10-21)18-25-15-12-20(13-16-25)17-19-7-3-1-4-8-19/h1-10,14,20,22H,11-13,15-18H2/t22-/m1/s1
InChIKeyXLNSAKYUEHNFKB-JOCHJYFZSA-N
XLogP3.90
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-benzylpiperidin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone with MolForge

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Related Compounds

2-(4-benzylpiperazin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 7354378
2-(4-methylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 69478677
2-(4-benzylpiperidin-1-yl)-1-[(3R)-5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 93227062
dilithium bis(2-(4-benzylpiperidin-1-yl)acetate)
CID 162364859
1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone
CID 46157809
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
2-(4-benzylpiperidin-1-yl)-1-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 46031319
2-(4-benzylpiperidin-1-yl)-1-[5-(2,5-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 46031009
2-(4-benzylazonan-1-yl)acetic acid
CID 69364417
2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108995596
2-(4-benzylpiperidin-1-yl)-1-[(3S)-5-(2-chlorophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 93226660
2-(4-benzylpiperidin-1-yl)-1-[5-(2-chlorophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 46029864

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone (CID 40769241) is 2-(4-benzylpiperidin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone is O=C(CN1CCC(Cc2ccccc2)CC1)N1N=CC[C@@H]1c1ccccc1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is XLNSAKYUEHNFKB-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H27N3O/c27-23(26-22(11-14-24-26)21-9-5-2-6-10-21)18-25-15-12-20(13-16-25)17-19-7-3-1-4-8-19/h1-10,14,20,22H,11-13,15-18H2/t22-/m1/s1.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
2-(4-benzylpiperidin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 361.49 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 40769241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).