[2-oxo-2-[(3S)-3-(2-phenylacetyl)piperidin-1-yl]ethyl]urea

C16H21N3O3 — CID 95214767

IUPAC[2-oxo-2-[(3S)-3-(2-phenylacetyl)piperidin-1-yl]ethyl]urea
SMILESNC(=O)NCC(=O)N1CCC[C@H](C(=O)Cc2ccccc2)C1
InChIInChI=1S/C16H21N3O3/c17-16(22)18-10-15(21)19-8-4-7-13(11-19)14(20)9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H3,17,18,22)/t13-/m0/s1
InChIKeyWHDFBYXOJWJTPW-ZDUSSCGKSA-N
MW303.36 g/mol
LogP0.71
Rot. Bonds5

About [2-oxo-2-[(3S)-3-(2-phenylacetyl)piperidin-1-yl]ethyl]urea

[2-oxo-2-[(3S)-3-(2-phenylacetyl)piperidin-1-yl]ethyl]urea (PubChem CID 95214767) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is [2-oxo-2-[(3S)-3-(2-phenylacetyl)piperidin-1-yl]ethyl]urea.

Molecular Properties

Compound Name[2-oxo-2-[(3S)-3-(2-phenylacetyl)piperidin-1-yl]ethyl]urea
PubChem CID95214767
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name[2-oxo-2-[(3S)-3-(2-phenylacetyl)piperidin-1-yl]ethyl]urea
SMILESNC(=O)NCC(=O)N1CCC[C@H](C(=O)Cc2ccccc2)C1
InChIInChI=1S/C16H21N3O3/c17-16(22)18-10-15(21)19-8-4-7-13(11-19)14(20)9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H3,17,18,22)/t13-/m0/s1
InChIKeyWHDFBYXOJWJTPW-ZDUSSCGKSA-N
XLogP0.71
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-oxo-2-[(3S)-3-(2-phenylacetyl)piperidin-1-yl]ethyl]urea with MolForge

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Related Compounds

1-[1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]piperidin-3-yl]-2-phenylethanone
CID 70712573
(3R)-N-(2-methylsulfanylphenyl)-3-(2-phenylacetyl)piperidine-1-carboxamide
CID 95709749
[2-[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-2-oxoethyl]urea
CID 95709449
(3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94098690
[2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]urea
CID 95725452
N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119593240
(3R)-N-[(4-methoxyphenyl)methyl]-3-(2-phenylacetyl)piperidine-1-carboxamide
CID 95710656
N-[(2-hydroxycyclopentyl)methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 111464083
1-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-2-phenylethanone
CID 70780899
1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid
CID 43171014
3-methyl-5-[2-oxo-2-[3-(2-phenylacetyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 70758226
(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(3S)-3-(2-phenylacetyl)piperidin-1-yl]ethyl]urea?
The IUPAC name of [2-oxo-2-[(3S)-3-(2-phenylacetyl)piperidin-1-yl]ethyl]urea (CID 95214767) is [2-oxo-2-[(3S)-3-(2-phenylacetyl)piperidin-1-yl]ethyl]urea.
What is the SMILES notation for [2-oxo-2-[(3S)-3-(2-phenylacetyl)piperidin-1-yl]ethyl]urea?
The canonical SMILES for [2-oxo-2-[(3S)-3-(2-phenylacetyl)piperidin-1-yl]ethyl]urea is NC(=O)NCC(=O)N1CCC[C@H](C(=O)Cc2ccccc2)C1.
What is the InChIKey of [2-oxo-2-[(3S)-3-(2-phenylacetyl)piperidin-1-yl]ethyl]urea?
The InChIKey is WHDFBYXOJWJTPW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3O3/c17-16(22)18-10-15(21)19-8-4-7-13(11-19)14(20)9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H3,17,18,22)/t13-/m0/s1.
What are the key properties of [2-oxo-2-[(3S)-3-(2-phenylacetyl)piperidin-1-yl]ethyl]urea?
[2-oxo-2-[(3S)-3-(2-phenylacetyl)piperidin-1-yl]ethyl]urea has a molecular weight of 303.36 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(3S)-3-(2-phenylacetyl)piperidin-1-yl]ethyl]urea is sourced from PubChem (CID 95214767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).