[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]urea

C14H19N3O3 — CID 107224574

IUPAC[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]urea
SMILESNC(=O)NC(C(=O)N1CCC[C@H](O)C1)c1ccccc1
InChIInChI=1S/C14H19N3O3/c15-14(20)16-12(10-5-2-1-3-6-10)13(19)17-8-4-7-11(18)9-17/h1-3,5-6,11-12,18H,4,7-9H2,(H3,15,16,20)/t11-,12?/m0/s1
InChIKeyAUQWCUVTMJDPGV-PXYINDEMSA-N
MW277.32 g/mol
LogP0.38
Rot. Bonds3

About [2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]urea

[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]urea (PubChem CID 107224574) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is [2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]urea.

Molecular Properties

Compound Name[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]urea
PubChem CID107224574
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]urea
SMILESNC(=O)NC(C(=O)N1CCC[C@H](O)C1)c1ccccc1
InChIInChI=1S/C14H19N3O3/c15-14(20)16-12(10-5-2-1-3-6-10)13(19)17-8-4-7-11(18)9-17/h1-3,5-6,11-12,18H,4,7-9H2,(H3,15,16,20)/t11-,12?/m0/s1
InChIKeyAUQWCUVTMJDPGV-PXYINDEMSA-N
XLogP0.38
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxypiperidin-1-yl)-2,2-diphenylethanone
CID 110868603
ethyl N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]carbamate
CID 85295930
[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]urea
CID 61408635
4-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
CID 90833775
N-[2-(4-aminopiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 119372896
4-amino-1-(3-hydroxypiperidin-1-yl)-4-phenylbutan-1-one
CID 55204912
4-tert-butyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide
CID 171152885
3-hydroxy-N-[2-(oxan-4-yl)-1-phenylethyl]piperidine-1-carboxamide
CID 110027227
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid
CID 125148264
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid
CID 102962888
1-[(3S)-3-methylpiperidin-1-yl]-2,2-diphenylethanone
CID 1292213
2,2-dimethyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]propanamide
CID 110286834

Frequently Asked Questions

What is the IUPAC name of [2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]urea?
The IUPAC name of [2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]urea (CID 107224574) is [2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]urea.
What is the SMILES notation for [2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]urea?
The canonical SMILES for [2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]urea is NC(=O)NC(C(=O)N1CCC[C@H](O)C1)c1ccccc1.
What is the InChIKey of [2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]urea?
The InChIKey is AUQWCUVTMJDPGV-PXYINDEMSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-14(20)16-12(10-5-2-1-3-6-10)13(19)17-8-4-7-11(18)9-17/h1-3,5-6,11-12,18H,4,7-9H2,(H3,15,16,20)/t11-,12?/m0/s1.
What are the key properties of [2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]urea?
[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]urea has a molecular weight of 277.32 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]urea is sourced from PubChem (CID 107224574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).