1-(3-fluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one

C16H22FN3O — CID 120905183

IUPAC1-(3-fluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one
SMILESCC1(CN2CCN(c3cccc(F)c3)C(=O)C2)CCNC1
InChIInChI=1S/C16H22FN3O/c1-16(5-6-18-11-16)12-19-7-8-20(15(21)10-19)14-4-2-3-13(17)9-14/h2-4,9,18H,5-8,10-12H2,1H3
InChIKeyYENIHZZFQKQLGJ-UHFFFAOYSA-N
MW291.37 g/mol
LogP1.47
Rot. Bonds3

About 1-(3-fluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one

1-(3-fluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one (PubChem CID 120905183) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one
PubChem CID120905183
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name1-(3-fluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one
SMILESCC1(CN2CCN(c3cccc(F)c3)C(=O)C2)CCNC1
InChIInChI=1S/C16H22FN3O/c1-16(5-6-18-11-16)12-19-7-8-20(15(21)10-19)14-4-2-3-13(17)9-14/h2-4,9,18H,5-8,10-12H2,1H3
InChIKeyYENIHZZFQKQLGJ-UHFFFAOYSA-N
XLogP1.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-(3-fluorophenyl)-7,7-dimethyl-1,5-diazocan-2-one
CID 117014978
1-(3-methoxyphenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
CID 120897429
1-(3-fluorophenyl)-4-(3-methyl-2-oxopiperidine-3-carbonyl)piperazin-2-one
CID 136536080
1-(2,3-difluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
CID 120900542
1-(4-fluorophenyl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
CID 120902403
1-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
CID 120898489
2-(3-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074477
(5S)-9-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl]-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373517
4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-(3-fluorophenyl)piperazin-2-one
CID 120905181
6,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperazin-2-one;hydrochloride
CID 120903615
3-(3-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 56773862
5-chloro-2-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 120900285

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one?
The IUPAC name of 1-(3-fluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one (CID 120905183) is 1-(3-fluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one.
What is the SMILES notation for 1-(3-fluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one?
The canonical SMILES for 1-(3-fluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one is CC1(CN2CCN(c3cccc(F)c3)C(=O)C2)CCNC1.
What is the InChIKey of 1-(3-fluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one?
The InChIKey is YENIHZZFQKQLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-16(5-6-18-11-16)12-19-7-8-20(15(21)10-19)14-4-2-3-13(17)9-14/h2-4,9,18H,5-8,10-12H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one?
1-(3-fluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one has a molecular weight of 291.37 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one is sourced from PubChem (CID 120905183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).