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

C19H27N3O3 — CID 95218993

IUPAC4-[[(3R)-3-hydroxy-2-oxo-1-(3-phenylpropyl)piperidin-3-yl]methyl]piperazin-2-one
SMILESO=C1CN(C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)CCN1
InChIInChI=1S/C19H27N3O3/c23-17-14-21(13-10-20-17)15-19(25)9-5-12-22(18(19)24)11-4-8-16-6-2-1-3-7-16/h1-3,6-7,25H,4-5,8-15H2,(H,20,23)/t19-/m1/s1
InChIKeyDDBYUZCTRZLYKZ-LJQANCHMSA-N
MW345.44 g/mol
LogP0.40
Rot. Bonds6

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

4-[[(3R)-3-hydroxy-2-oxo-1-(3-phenylpropyl)piperidin-3-yl]methyl]piperazin-2-one (PubChem CID 95218993) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-[[(3R)-3-hydroxy-2-oxo-1-(3-phenylpropyl)piperidin-3-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[(3R)-3-hydroxy-2-oxo-1-(3-phenylpropyl)piperidin-3-yl]methyl]piperazin-2-one
PubChem CID95218993
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name4-[[(3R)-3-hydroxy-2-oxo-1-(3-phenylpropyl)piperidin-3-yl]methyl]piperazin-2-one
SMILESO=C1CN(C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)CCN1
InChIInChI=1S/C19H27N3O3/c23-17-14-21(13-10-20-17)15-19(25)9-5-12-22(18(19)24)11-4-8-16-6-2-1-3-7-16/h1-3,6-7,25H,4-5,8-15H2,(H,20,23)/t19-/m1/s1
InChIKeyDDBYUZCTRZLYKZ-LJQANCHMSA-N
XLogP0.40
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]-1,4-diazepan-5-one
CID 56701666
4-[[(3S)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-2-one
CID 95200271
(3R)-3-hydroxy-1-(3-phenylpropyl)-3-[(piperidin-4-ylmethylamino)methyl]piperidin-2-one
CID 95194092
1-cyclopentyl-4-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-2-one
CID 56707867
4-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]piperazin-2-one
CID 56743121
(3R)-3-[(2,2-difluoroethylamino)methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one
CID 95188134
methyl 2-[4-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]-2-oxopiperazin-1-yl]acetate
CID 56711235
(3S)-3-hydroxy-3-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1-(2-phenylethyl)piperidin-2-one
CID 95210457
(3R)-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]-1-(3-phenylpropyl)piperidin-2-one
CID 95502535
4-[[(3S)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-2-one
CID 95230937
(3S)-3-hydroxy-3-[[(5-methyl-1H-pyrazol-3-yl)methylamino]methyl]-1-(3-phenylpropyl)piperidin-2-one
CID 95205613
3-hydroxy-1-(2-phenylethyl)-3-[(2-pyrrolidin-1-ylethylamino)methyl]piperidin-2-one
CID 56711538

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-hydroxy-2-oxo-1-(3-phenylpropyl)piperidin-3-yl]methyl]piperazin-2-one?
The IUPAC name of 4-[[(3R)-3-hydroxy-2-oxo-1-(3-phenylpropyl)piperidin-3-yl]methyl]piperazin-2-one (CID 95218993) is 4-[[(3R)-3-hydroxy-2-oxo-1-(3-phenylpropyl)piperidin-3-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[(3R)-3-hydroxy-2-oxo-1-(3-phenylpropyl)piperidin-3-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[(3R)-3-hydroxy-2-oxo-1-(3-phenylpropyl)piperidin-3-yl]methyl]piperazin-2-one is O=C1CN(C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)CCN1.
What is the InChIKey of 4-[[(3R)-3-hydroxy-2-oxo-1-(3-phenylpropyl)piperidin-3-yl]methyl]piperazin-2-one?
The InChIKey is DDBYUZCTRZLYKZ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-17-14-21(13-10-20-17)15-19(25)9-5-12-22(18(19)24)11-4-8-16-6-2-1-3-7-16/h1-3,6-7,25H,4-5,8-15H2,(H,20,23)/t19-/m1/s1.
What are the key properties of 4-[[(3R)-3-hydroxy-2-oxo-1-(3-phenylpropyl)piperidin-3-yl]methyl]piperazin-2-one?
4-[[(3R)-3-hydroxy-2-oxo-1-(3-phenylpropyl)piperidin-3-yl]methyl]piperazin-2-one has a molecular weight of 345.44 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-hydroxy-2-oxo-1-(3-phenylpropyl)piperidin-3-yl]methyl]piperazin-2-one is sourced from PubChem (CID 95218993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).