(5R)-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-5-methylpiperidin-2-one

C19H26FN3O2 — CID 124885234

IUPAC(5R)-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-5-methylpiperidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)[C@]1(C)CCC(=O)NC1
InChIInChI=1S/C19H26FN3O2/c1-14-11-22(12-15-3-5-16(20)6-4-15)9-10-23(14)18(25)19(2)8-7-17(24)21-13-19/h3-6,14H,7-13H2,1-2H3,(H,21,24)/t14-,19-/m1/s1
InChIKeyULFSYDJTWMBPEX-AUUYWEPGSA-N
MW347.43 g/mol
LogP1.77
Rot. Bonds3

About (5R)-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-5-methylpiperidin-2-one

(5R)-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-5-methylpiperidin-2-one (PubChem CID 124885234) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is (5R)-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-5-methylpiperidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-5-methylpiperidin-2-one
PubChem CID124885234
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name(5R)-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-5-methylpiperidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)[C@]1(C)CCC(=O)NC1
InChIInChI=1S/C19H26FN3O2/c1-14-11-22(12-15-3-5-16(20)6-4-15)9-10-23(14)18(25)19(2)8-7-17(24)21-13-19/h3-6,14H,7-13H2,1-2H3,(H,21,24)/t14-,19-/m1/s1
InChIKeyULFSYDJTWMBPEX-AUUYWEPGSA-N
XLogP1.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R)-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-5-methylpiperidin-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

(4-benzyl-2-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 169115361
5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-methyl-5-oxopentanamide
CID 100634527
2-(4-chloroanilino)-1-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]ethanone
CID 22264535
2-(4-chlorophenoxy)-1-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]ethanone
CID 57041886
3-(2-bromo-4-chlorophenyl)-1-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]prop-2-en-1-one
CID 90847097
5-[4-(2,2-difluoro-3-hydroxypropyl)piperazine-1-carbonyl]-5-methylpiperidin-2-one
CID 126820763
(2S)-4-[[4-[[4-(4-fluoroanilino)piperidine-1-carbonyl]-methylamino]phenyl]methyl]-2-methylpiperazine-1-carboxylic acid
CID 66670776
2-(3-amino-4-chlorophenoxy)-1-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]ethanone
CID 22264287
[(2R,5S)-4-benzyl-5-(4-fluorophenyl)-2-methylpiperazin-1-yl]-(1-methylcyclopropyl)methanone
CID 169115854
1-[(2S)-4-[(4-fluorophenyl)methyl]-2-(methoxymethyl)piperazin-1-yl]ethanone
CID 141137845
1-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-2-piperidin-4-ylethanone
CID 119886406
[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
CID 129363222

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-5-methylpiperidin-2-one?
The IUPAC name of (5R)-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-5-methylpiperidin-2-one (CID 124885234) is (5R)-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-5-methylpiperidin-2-one.
What is the SMILES notation for (5R)-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-5-methylpiperidin-2-one?
The canonical SMILES for (5R)-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-5-methylpiperidin-2-one is C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)[C@]1(C)CCC(=O)NC1.
What is the InChIKey of (5R)-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-5-methylpiperidin-2-one?
The InChIKey is ULFSYDJTWMBPEX-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-14-11-22(12-15-3-5-16(20)6-4-15)9-10-23(14)18(25)19(2)8-7-17(24)21-13-19/h3-6,14H,7-13H2,1-2H3,(H,21,24)/t14-,19-/m1/s1.
What are the key properties of (5R)-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-5-methylpiperidin-2-one?
(5R)-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-5-methylpiperidin-2-one has a molecular weight of 347.43 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-5-methylpiperidin-2-one is sourced from PubChem (CID 124885234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).