N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-oxo-4-phenylbutanamide

C22H25FN2O2 — CID 95711358

IUPACN-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-oxo-4-phenylbutanamide
SMILESO=C(CCc1ccccc1)C(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C22H25FN2O2/c23-20-11-5-4-9-18(20)15-25-14-6-10-19(16-25)24-22(27)21(26)13-12-17-7-2-1-3-8-17/h1-5,7-9,11,19H,6,10,12-16H2,(H,24,27)/t19-/m1/s1
InChIKeyQJAFOYOYIOIFIV-LJQANCHMSA-N
MW368.45 g/mol
LogP3.11
Rot. Bonds7

About N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-oxo-4-phenylbutanamide

N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-oxo-4-phenylbutanamide (PubChem CID 95711358) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-oxo-4-phenylbutanamide
PubChem CID95711358
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC NameN-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-oxo-4-phenylbutanamide
SMILESO=C(CCc1ccccc1)C(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C22H25FN2O2/c23-20-11-5-4-9-18(20)15-25-14-6-10-19(16-25)24-22(27)21(26)13-12-17-7-2-1-3-8-17/h1-5,7-9,11,19H,6,10,12-16H2,(H,24,27)/t19-/m1/s1
InChIKeyQJAFOYOYIOIFIV-LJQANCHMSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-oxo-4-phenylbutanamide 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

N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 131921487
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide
CID 23723582
N-[(S)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide
CID 95795528
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]cyclopentene-1-carboxamide
CID 45185934
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 25373999
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 25479419
butyl N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]carbamate
CID 56912606
5-acetyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide
CID 42310633
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-methyl-4-phenylpiperidine-4-carboxamide
CID 42307959
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-3-carboxamide
CID 122569970
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide
CID 118792938

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-oxo-4-phenylbutanamide?
The IUPAC name of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-oxo-4-phenylbutanamide (CID 95711358) is N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-oxo-4-phenylbutanamide?
The canonical SMILES for N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-oxo-4-phenylbutanamide is O=C(CCc1ccccc1)C(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-oxo-4-phenylbutanamide?
The InChIKey is QJAFOYOYIOIFIV-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25FN2O2/c23-20-11-5-4-9-18(20)15-25-14-6-10-19(16-25)24-22(27)21(26)13-12-17-7-2-1-3-8-17/h1-5,7-9,11,19H,6,10,12-16H2,(H,24,27)/t19-/m1/s1.
What are the key properties of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-oxo-4-phenylbutanamide?
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-oxo-4-phenylbutanamide has a molecular weight of 368.45 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-oxo-4-phenylbutanamide is sourced from PubChem (CID 95711358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).