1-benzyl-3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]urea

C21H25N3O2 — CID 39581113

IUPAC1-benzyl-3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]urea
SMILESO=C(NCC(=O)N1CCC(c2ccccc2)CC1)NCc1ccccc1
InChIInChI=1S/C21H25N3O2/c25-20(16-23-21(26)22-15-17-7-3-1-4-8-17)24-13-11-19(12-14-24)18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H2,22,23,26)
InChIKeyDZQCZZZXDBGDED-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.89
Rot. Bonds5

About 1-benzyl-3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]urea

1-benzyl-3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]urea (PubChem CID 39581113) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-benzyl-3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]urea
PubChem CID39581113
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-benzyl-3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]urea
SMILESO=C(NCC(=O)N1CCC(c2ccccc2)CC1)NCc1ccccc1
InChIInChI=1S/C21H25N3O2/c25-20(16-23-21(26)22-15-17-7-3-1-4-8-17)24-13-11-19(12-14-24)18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H2,22,23,26)
InChIKeyDZQCZZZXDBGDED-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride
CID 119703042
1-[(4-aminophenyl)methyl]-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]urea
CID 67256914
1-benzyl-3-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]urea
CID 46555188
2-[1-[2-[(4-chlorophenyl)methylcarbamoylamino]acetyl]piperidin-4-yl]acetic acid
CID 119178610
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea
CID 17439386
1-benzyl-3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]urea
CID 27841214
1-benzyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 47085415
1-[2-[(4-nitrophenyl)methylcarbamoylamino]acetyl]piperidine-4-carboxylic acid
CID 119349300
1-benzyl-3-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]urea
CID 42572867
N-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]furan-3-carboxamide
CID 95180599
1-[2-[(4-chlorophenyl)methylcarbamoylamino]acetyl]pyrrolidine-3-carboxylic acid
CID 119354501
1-[(4-aminophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 53261396

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-benzyl-3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]urea (CID 39581113) is 1-benzyl-3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-benzyl-3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]urea is O=C(NCC(=O)N1CCC(c2ccccc2)CC1)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]urea?
The InChIKey is DZQCZZZXDBGDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-20(16-23-21(26)22-15-17-7-3-1-4-8-17)24-13-11-19(12-14-24)18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H2,22,23,26).
What are the key properties of 1-benzyl-3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]urea?
1-benzyl-3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]urea has a molecular weight of 351.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 39581113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).