1-(4-fluoro-2-piperidin-4-ylpyrrolidin-1-yl)propan-1-one

C12H21FN2O — CID 123574402

IUPAC1-(4-fluoro-2-piperidin-4-ylpyrrolidin-1-yl)propan-1-one
SMILESCCC(=O)N1CC(F)CC1C1CCNCC1
InChIInChI=1S/C12H21FN2O/c1-2-12(16)15-8-10(13)7-11(15)9-3-5-14-6-4-9/h9-11,14H,2-8H2,1H3
InChIKeyUHGRZMKWVDNJTC-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.34
Rot. Bonds2

About 1-(4-fluoro-2-piperidin-4-ylpyrrolidin-1-yl)propan-1-one

1-(4-fluoro-2-piperidin-4-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 123574402) has the molecular formula C12H21FN2O and a molecular weight of 228.31 g/mol. Its IUPAC name is 1-(4-fluoro-2-piperidin-4-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-fluoro-2-piperidin-4-ylpyrrolidin-1-yl)propan-1-one
PubChem CID123574402
Molecular FormulaC12H21FN2O
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC Name1-(4-fluoro-2-piperidin-4-ylpyrrolidin-1-yl)propan-1-one
SMILESCCC(=O)N1CC(F)CC1C1CCNCC1
InChIInChI=1S/C12H21FN2O/c1-2-12(16)15-8-10(13)7-11(15)9-3-5-14-6-4-9/h9-11,14H,2-8H2,1H3
InChIKeyUHGRZMKWVDNJTC-UHFFFAOYSA-N
XLogP1.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluoro-2-piperidin-4-ylpyrrolidin-1-yl)propan-1-one 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-isopropylpiperidin-4-yl)methyl)isobutyramide
CID 16895472
Pentanamide, N-4-piperidinyl-2-propyl-
CID 3075850
1-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-methylpropan-1-one
CID 97528501
N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide
CID 16769668
rac-1-[(3aR,7aS)-octahydro-1H-pyrrolo[3,2-c]pyridin-5-yl]ethan-1-one
CID 96738629
1-(1,8-Diazaspiro(4.5)decan-1-yl)-2,2-dimethylpropan-1-one hydrochloride
CID 165654736
1-(1,8-Diazaspiro(4.5)decan-1-yl)-2-methylpropan-1-one hydrochloride
CID 165660866
N-((1-cyclopentylpiperidin-4-yl)methyl)isobutyramide
CID 16895652
N-propan-2-yl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide
CID 53525276
(2S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 69886140
(2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 118303120
1-[(2S)-4,4-difluoro-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one
CID 118303126

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-piperidin-4-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 1-(4-fluoro-2-piperidin-4-ylpyrrolidin-1-yl)propan-1-one (CID 123574402) is 1-(4-fluoro-2-piperidin-4-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-fluoro-2-piperidin-4-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-fluoro-2-piperidin-4-ylpyrrolidin-1-yl)propan-1-one is CCC(=O)N1CC(F)CC1C1CCNCC1.
What is the InChIKey of 1-(4-fluoro-2-piperidin-4-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is UHGRZMKWVDNJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2O/c1-2-12(16)15-8-10(13)7-11(15)9-3-5-14-6-4-9/h9-11,14H,2-8H2,1H3.
What are the key properties of 1-(4-fluoro-2-piperidin-4-ylpyrrolidin-1-yl)propan-1-one?
1-(4-fluoro-2-piperidin-4-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 228.31 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-piperidin-4-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 123574402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).