1-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]-1,4-diazepan-5-one

C19H27N3O3 — CID 56701666

IUPAC1-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]-1,4-diazepan-5-one
SMILESO=C1CCN(CC2(O)CCCN(CCc3ccccc3)C2=O)CCN1
InChIInChI=1S/C19H27N3O3/c23-17-8-12-21(14-10-20-17)15-19(25)9-4-11-22(18(19)24)13-7-16-5-2-1-3-6-16/h1-3,5-6,25H,4,7-15H2,(H,20,23)
InChIKeyZJSPWAWCRLOLRZ-UHFFFAOYSA-N
MW345.44 g/mol
LogP0.40
Rot. Bonds5

About 1-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]-1,4-diazepan-5-one

1-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]-1,4-diazepan-5-one (PubChem CID 56701666) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]-1,4-diazepan-5-one
PubChem CID56701666
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]-1,4-diazepan-5-one
SMILESO=C1CCN(CC2(O)CCCN(CCc3ccccc3)C2=O)CCN1
InChIInChI=1S/C19H27N3O3/c23-17-8-12-21(14-10-20-17)15-19(25)9-4-11-22(18(19)24)13-7-16-5-2-1-3-6-16/h1-3,5-6,25H,4,7-15H2,(H,20,23)
InChIKeyZJSPWAWCRLOLRZ-UHFFFAOYSA-N
XLogP0.40
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

Analyze 1-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]-1,4-diazepan-5-one with MolForge

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Launch Full Analysis

Related Compounds

4-[[(3R)-3-hydroxy-2-oxo-1-(3-phenylpropyl)piperidin-3-yl]methyl]piperazin-2-one
CID 95218993
1-[[1-[(2,3-difluorophenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]-1,4-diazepan-5-one
CID 56747319
3-hydroxy-1-(2-phenylethyl)-3-[(2-pyrrolidin-1-ylethylamino)methyl]piperidin-2-one
CID 56711538
(3S)-3-hydroxy-3-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1-(2-phenylethyl)piperidin-2-one
CID 95210457
(3S)-3-hydroxy-1-(2-phenylethyl)-3-[[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]methyl]piperidin-2-one
CID 95199038
1-cyclopentyl-4-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-2-one
CID 56707867
3-hydroxy-3-[(2-hydroxyethylamino)methyl]-1-(2-phenylethyl)piperidin-2-one
CID 56701415
methyl 2-[4-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]-2-oxopiperazin-1-yl]acetate
CID 56711235
3-hydroxy-3-[[(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one;dihydrochloride
CID 154891709
4-[[(3S)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-2-one
CID 95200271
3-[(cyclopentylamino)methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 45220478
(3R)-3-hydroxy-1-(2-phenylethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one
CID 95211538

Frequently Asked Questions

What is the IUPAC name of 1-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]-1,4-diazepan-5-one?
The IUPAC name of 1-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]-1,4-diazepan-5-one (CID 56701666) is 1-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]-1,4-diazepan-5-one?
The canonical SMILES for 1-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]-1,4-diazepan-5-one is O=C1CCN(CC2(O)CCCN(CCc3ccccc3)C2=O)CCN1.
What is the InChIKey of 1-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]-1,4-diazepan-5-one?
The InChIKey is ZJSPWAWCRLOLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-17-8-12-21(14-10-20-17)15-19(25)9-4-11-22(18(19)24)13-7-16-5-2-1-3-6-16/h1-3,5-6,25H,4,7-15H2,(H,20,23).
What are the key properties of 1-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]-1,4-diazepan-5-one?
1-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]-1,4-diazepan-5-one has a molecular weight of 345.44 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]-1,4-diazepan-5-one is sourced from PubChem (CID 56701666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).