[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone

C18H25FN2O — CID 119296735

IUPAC[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone
SMILESO=C(C1CCCCN1)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H25FN2O/c19-16-5-3-4-15(13-16)12-14-7-10-21(11-8-14)18(22)17-6-1-2-9-20-17/h3-5,13-14,17,20H,1-2,6-12H2
InChIKeyACIXPCFKZNFKME-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.75
Rot. Bonds3

About [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone

[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone (PubChem CID 119296735) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone
PubChem CID119296735
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone
SMILESO=C(C1CCCCN1)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H25FN2O/c19-16-5-3-4-15(13-16)12-14-7-10-21(11-8-14)18(22)17-6-1-2-9-20-17/h3-5,13-14,17,20H,1-2,6-12H2
InChIKeyACIXPCFKZNFKME-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-piperidin-2-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

[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119296749
(3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119290280
[4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119282032
1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone
CID 116582471
2-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119181763
5-azaspiro[2.4]heptan-2-yl-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 154864233
(1-aminocyclopentyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 119296753
5-fluoro-3-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 136554321
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 119736878
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 76868299
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1H-indazol-4-yl)methanone
CID 71938369
2-(2-fluorophenyl)-1-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119306855

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone?
The IUPAC name of [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone (CID 119296735) is [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone.
What is the SMILES notation for [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone?
The canonical SMILES for [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone is O=C(C1CCCCN1)N1CCC(Cc2cccc(F)c2)CC1.
What is the InChIKey of [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone?
The InChIKey is ACIXPCFKZNFKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c19-16-5-3-4-15(13-16)12-14-7-10-21(11-8-14)18(22)17-6-1-2-9-20-17/h3-5,13-14,17,20H,1-2,6-12H2.
What are the key properties of [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone?
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone has a molecular weight of 304.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone is sourced from PubChem (CID 119296735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).