1-[1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(2-methoxyphenyl)urea

C29H33N3O3 — CID 42697179

IUPAC1-[1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC(Cc1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C29H33N3O3/c1-35-27-15-9-8-14-25(27)30-29(34)31-26(21-23-12-6-3-7-13-23)28(33)32-18-16-24(17-19-32)20-22-10-4-2-5-11-22/h2-15,24,26H,16-21H2,1H3,(H2,30,31,34)
InChIKeyFBWPDCAQRYWNLD-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.91
Rot. Bonds8

About 1-[1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(2-methoxyphenyl)urea

1-[1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(2-methoxyphenyl)urea (PubChem CID 42697179) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is 1-[1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(2-methoxyphenyl)urea
PubChem CID42697179
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC Name1-[1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC(Cc1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C29H33N3O3/c1-35-27-15-9-8-14-25(27)30-29(34)31-26(21-23-12-6-3-7-13-23)28(33)32-18-16-24(17-19-32)20-22-10-4-2-5-11-22/h2-15,24,26H,16-21H2,1H3,(H2,30,31,34)
InChIKeyFBWPDCAQRYWNLD-UHFFFAOYSA-N
XLogP4.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-benzylpiperidin-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide
CID 108952152
tert-butyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 14281310
(2S)-2-(benzylamino)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-1-one
CID 67385330
2-[(2-methoxyphenyl)carbamoylamino]-3-phenyl-N-(1-phenylethyl)propanamide
CID 42701995
1-(2-bromophenyl)-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea
CID 42703097
1-[1-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-2-phenylethyl]-3-(2-methoxyphenyl)urea
CID 53277098
2-[(2-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469980
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methoxyphenyl)carbamoylamino]-3-phenylpropanamide
CID 42704114
methyl (2S)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoate
CID 2019412
1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196158
N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide
CID 78780530
methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 110754151

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(2-methoxyphenyl)urea (CID 42697179) is 1-[1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NC(Cc1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-[1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(2-methoxyphenyl)urea?
The InChIKey is FBWPDCAQRYWNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-35-27-15-9-8-14-25(27)30-29(34)31-26(21-23-12-6-3-7-13-23)28(33)32-18-16-24(17-19-32)20-22-10-4-2-5-11-22/h2-15,24,26H,16-21H2,1H3,(H2,30,31,34).
What are the key properties of 1-[1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(2-methoxyphenyl)urea?
1-[1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(2-methoxyphenyl)urea has a molecular weight of 471.60 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 42697179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).