1-benzyl-3-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]urea

C21H25N3O2 — CID 110354058

IUPAC1-benzyl-3-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]urea
SMILESO=C(NCc1ccccc1)N[C@H](C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c25-20(24-14-8-3-9-15-24)19(18-12-6-2-7-13-18)23-21(26)22-16-17-10-4-1-5-11-17/h1-2,4-7,10-13,19H,3,8-9,14-16H2,(H2,22,23,26)/t19-/m0/s1
InChIKeyVSEJUZJZLNZGFM-IBGZPJMESA-N
MW351.45 g/mol
LogP3.24
Rot. Bonds5

About 1-benzyl-3-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]urea

1-benzyl-3-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]urea (PubChem CID 110354058) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-benzyl-3-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]urea
PubChem CID110354058
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-benzyl-3-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]urea
SMILESO=C(NCc1ccccc1)N[C@H](C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c25-20(24-14-8-3-9-15-24)19(18-12-6-2-7-13-18)23-21(26)22-16-17-10-4-1-5-11-17/h1-2,4-7,10-13,19H,3,8-9,14-16H2,(H2,22,23,26)/t19-/m0/s1
InChIKeyVSEJUZJZLNZGFM-IBGZPJMESA-N
XLogP3.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea
CID 92881630
1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 51727871
2,2-dimethyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]propanamide
CID 110286834
N-benzylazonane-1-carboxamide
CID 130689649
1-[1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-benzylurea
CID 55685241
3-(3-chlorophenyl)-N-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 110626084
4-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
CID 90833775
2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]benzamide
CID 110286837
1-[2-(benzylcarbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid
CID 119167348
4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 110286769
N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 31697369
2-bromo-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 110286741

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]urea?
The IUPAC name of 1-benzyl-3-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]urea (CID 110354058) is 1-benzyl-3-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]urea.
What is the SMILES notation for 1-benzyl-3-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]urea?
The canonical SMILES for 1-benzyl-3-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]urea is O=C(NCc1ccccc1)N[C@H](C(=O)N1CCCCC1)c1ccccc1.
What is the InChIKey of 1-benzyl-3-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]urea?
The InChIKey is VSEJUZJZLNZGFM-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25N3O2/c25-20(24-14-8-3-9-15-24)19(18-12-6-2-7-13-18)23-21(26)22-16-17-10-4-1-5-11-17/h1-2,4-7,10-13,19H,3,8-9,14-16H2,(H2,22,23,26)/t19-/m0/s1.
What are the key properties of 1-benzyl-3-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]urea?
1-benzyl-3-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]urea has a molecular weight of 351.45 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]urea is sourced from PubChem (CID 110354058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).