[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-pyrrolidin-1-ylmethanone

C17H21FN2O — CID 53013551

IUPAC[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1=CCN(Cc2cccc(F)c2)CC1)N1CCCC1
InChIInChI=1S/C17H21FN2O/c18-16-5-3-4-14(12-16)13-19-10-6-15(7-11-19)17(21)20-8-1-2-9-20/h3-6,12H,1-2,7-11,13H2
InChIKeyIQVXAFIIOMAHDT-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.58
Rot. Bonds3

About [1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-pyrrolidin-1-ylmethanone

[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53013551) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is [1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID53013551
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1=CCN(Cc2cccc(F)c2)CC1)N1CCCC1
InChIInChI=1S/C17H21FN2O/c18-16-5-3-4-14(12-16)13-19-10-6-15(7-11-19)17(21)20-8-1-2-9-20/h3-6,12H,1-2,7-11,13H2
InChIKeyIQVXAFIIOMAHDT-UHFFFAOYSA-N
XLogP2.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-pyrrolidin-1-ylmethanone 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

[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 53051270
1-[(3-fluorophenyl)methyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53013550
N-cyclohexyl-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051245
N-[(2-fluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051250
N-[(2-bromophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051281
N-(1,3-benzodioxol-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051276
(2,3-dichlorophenyl)-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19291232
[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 134045304
cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17250044
[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 24790458
3-[[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]methyl]benzoic acid
CID 122028616
N-[(2,5-difluorophenyl)methyl]-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051196

Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-pyrrolidin-1-ylmethanone (CID 53013551) is [1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1=CCN(Cc2cccc(F)c2)CC1)N1CCCC1.
What is the InChIKey of [1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is IQVXAFIIOMAHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c18-16-5-3-4-14(12-16)13-19-10-6-15(7-11-19)17(21)20-8-1-2-9-20/h3-6,12H,1-2,7-11,13H2.
What are the key properties of [1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 288.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53013551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).