1-[(3R)-2-oxopiperidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea

C18H23N5O2 — CID 96990226

IUPAC1-[(3R)-2-oxopiperidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
SMILESO=C(NCc1nccn1CCc1ccccc1)N[C@@H]1CCCNC1=O
InChIInChI=1S/C18H23N5O2/c24-17-15(7-4-9-20-17)22-18(25)21-13-16-19-10-12-23(16)11-8-14-5-2-1-3-6-14/h1-3,5-6,10,12,15H,4,7-9,11,13H2,(H,20,24)(H2,21,22,25)/t15-/m1/s1
InChIKeyWYQXVEKNLXOGJZ-OAHLLOKOSA-N
MW341.41 g/mol
LogP1.20
Rot. Bonds6

About 1-[(3R)-2-oxopiperidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea

1-[(3R)-2-oxopiperidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea (PubChem CID 96990226) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[(3R)-2-oxopiperidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[(3R)-2-oxopiperidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
PubChem CID96990226
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name1-[(3R)-2-oxopiperidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
SMILESO=C(NCc1nccn1CCc1ccccc1)N[C@@H]1CCCNC1=O
InChIInChI=1S/C18H23N5O2/c24-17-15(7-4-9-20-17)22-18(25)21-13-16-19-10-12-23(16)11-8-14-5-2-1-3-6-14/h1-3,5-6,10,12,15H,4,7-9,11,13H2,(H,20,24)(H2,21,22,25)/t15-/m1/s1
InChIKeyWYQXVEKNLXOGJZ-OAHLLOKOSA-N
XLogP1.20
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-2-oxopiperidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea with MolForge

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Related Compounds

1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
CID 96970148
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119898701
1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
CID 98849989
2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119898678
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-piperidin-3-ylbutanamide
CID 119898673
1-[(3S)-2-oxoazepan-3-yl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 94058390
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 166249976
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119898680
1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122005629
1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122005626
(2S,4S)-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]piperidine-4-carboxamide
CID 120638608
N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-2-oxopiperidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea?
The IUPAC name of 1-[(3R)-2-oxopiperidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea (CID 96990226) is 1-[(3R)-2-oxopiperidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea.
What is the SMILES notation for 1-[(3R)-2-oxopiperidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea?
The canonical SMILES for 1-[(3R)-2-oxopiperidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea is O=C(NCc1nccn1CCc1ccccc1)N[C@@H]1CCCNC1=O.
What is the InChIKey of 1-[(3R)-2-oxopiperidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea?
The InChIKey is WYQXVEKNLXOGJZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-17-15(7-4-9-20-17)22-18(25)21-13-16-19-10-12-23(16)11-8-14-5-2-1-3-6-14/h1-3,5-6,10,12,15H,4,7-9,11,13H2,(H,20,24)(H2,21,22,25)/t15-/m1/s1.
What are the key properties of 1-[(3R)-2-oxopiperidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea?
1-[(3R)-2-oxopiperidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea has a molecular weight of 341.41 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-2-oxopiperidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea is sourced from PubChem (CID 96990226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).