[2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethyl]urea

C16H23N3O2 — CID 70715527

IUPAC[2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethyl]urea
SMILESNC(=O)NCC(=O)N1CCCCC1CCc1ccccc1
InChIInChI=1S/C16H23N3O2/c17-16(21)18-12-15(20)19-11-5-4-8-14(19)10-9-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H3,17,18,21)
InChIKeyPMBNOOKMPMITKJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.67
Rot. Bonds5

About [2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethyl]urea

[2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethyl]urea (PubChem CID 70715527) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethyl]urea.

Molecular Properties

Compound Name[2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethyl]urea
PubChem CID70715527
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethyl]urea
SMILESNC(=O)NCC(=O)N1CCCCC1CCc1ccccc1
InChIInChI=1S/C16H23N3O2/c17-16(21)18-12-15(20)19-11-5-4-8-14(19)10-9-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H3,17,18,21)
InChIKeyPMBNOOKMPMITKJ-UHFFFAOYSA-N
XLogP1.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]benzamide
CID 47066258
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061
2-(methylamino)-1-[2-(3-phenylpropyl)piperidin-1-yl]ethanone
CID 120705338
N,N-dimethyl-2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethanesulfonamide
CID 84600963
4-(2-phenylethoxy)-1-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]butan-1-one
CID 95761632
2-methoxyethyl (2R)-2-(2-phenylethyl)piperidine-1-carboxylate
CID 95724358
2-acetamido-N-[2-[(2R)-2-benzylpiperidin-1-yl]-2-oxoethyl]acetamide
CID 95286390
1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 97101247
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 119631388
[2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone
CID 70764538
3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120579429
benzyl N-[2-[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 95044789

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethyl]urea?
The IUPAC name of [2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethyl]urea (CID 70715527) is [2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethyl]urea.
What is the SMILES notation for [2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethyl]urea?
The canonical SMILES for [2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethyl]urea is NC(=O)NCC(=O)N1CCCCC1CCc1ccccc1.
What is the InChIKey of [2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethyl]urea?
The InChIKey is PMBNOOKMPMITKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-16(21)18-12-15(20)19-11-5-4-8-14(19)10-9-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H3,17,18,21).
What are the key properties of [2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethyl]urea?
[2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethyl]urea has a molecular weight of 289.38 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethyl]urea is sourced from PubChem (CID 70715527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).