1-cyclopentyl-4-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-2-one

C23H33N3O3 — CID 56707867

IUPAC1-cyclopentyl-4-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-2-one
SMILESO=C1CN(CC2(O)CCCN(CCc3ccccc3)C2=O)CCN1C1CCCC1
InChIInChI=1S/C23H33N3O3/c27-21-17-24(15-16-26(21)20-9-4-5-10-20)18-23(29)12-6-13-25(22(23)28)14-11-19-7-2-1-3-8-19/h1-3,7-8,20,29H,4-6,9-18H2
InChIKeyMTJONUKZOBUXHX-UHFFFAOYSA-N
MW399.54 g/mol
LogP1.67
Rot. Bonds6

About 1-cyclopentyl-4-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-2-one

1-cyclopentyl-4-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-2-one (PubChem CID 56707867) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-2-one
PubChem CID56707867
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name1-cyclopentyl-4-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-2-one
SMILESO=C1CN(CC2(O)CCCN(CCc3ccccc3)C2=O)CCN1C1CCCC1
InChIInChI=1S/C23H33N3O3/c27-21-17-24(15-16-26(21)20-9-4-5-10-20)18-23(29)12-6-13-25(22(23)28)14-11-19-7-2-1-3-8-19/h1-3,7-8,20,29H,4-6,9-18H2
InChIKeyMTJONUKZOBUXHX-UHFFFAOYSA-N
XLogP1.67
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopentyl-4-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-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

methyl 2-[4-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]-2-oxopiperazin-1-yl]acetate
CID 56711235
4-[[(3R)-3-hydroxy-2-oxo-1-(3-phenylpropyl)piperidin-3-yl]methyl]piperazin-2-one
CID 95218993
3-[(cyclopentylamino)methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 45220478
(3S)-3-hydroxy-3-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1-(2-phenylethyl)piperidin-2-one
CID 95210457
1-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]-1,4-diazepan-5-one
CID 56701666
4-[[(3R)-3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-1-phenylpiperazin-2-one
CID 95204131
(3S)-3-hydroxy-1-(2-phenylethyl)-3-[[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]methyl]piperidin-2-one
CID 95199038
3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one
CID 45174681
3-hydroxy-1-(2-phenylethyl)-3-[(2-pyrrolidin-1-ylethylamino)methyl]piperidin-2-one
CID 56711538
3-hydroxy-3-[(2-hydroxyethylamino)methyl]-1-(2-phenylethyl)piperidin-2-one
CID 56701415
(3S)-3-hydroxy-3-[[2-hydroxyethyl(methyl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one
CID 95227431
(3S)-3-hydroxy-3-[[[1-(hydroxymethyl)cyclopropyl]methyl-methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one
CID 95228907

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-2-one?
The IUPAC name of 1-cyclopentyl-4-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-2-one (CID 56707867) is 1-cyclopentyl-4-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-2-one is O=C1CN(CC2(O)CCCN(CCc3ccccc3)C2=O)CCN1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-2-one?
The InChIKey is MTJONUKZOBUXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c27-21-17-24(15-16-26(21)20-9-4-5-10-20)18-23(29)12-6-13-25(22(23)28)14-11-19-7-2-1-3-8-19/h1-3,7-8,20,29H,4-6,9-18H2.
What are the key properties of 1-cyclopentyl-4-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-2-one?
1-cyclopentyl-4-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-2-one has a molecular weight of 399.54 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-2-one is sourced from PubChem (CID 56707867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).