1-[(4-methoxyphenyl)methyl]-3-[3-(2-oxopiperidin-1-yl)phenyl]urea

C20H23N3O3 — CID 34700461

IUPAC1-[(4-methoxyphenyl)methyl]-3-[3-(2-oxopiperidin-1-yl)phenyl]urea
SMILESCOc1ccc(CNC(=O)Nc2cccc(N3CCCCC3=O)c2)cc1
InChIInChI=1S/C20H23N3O3/c1-26-18-10-8-15(9-11-18)14-21-20(25)22-16-5-4-6-17(13-16)23-12-3-2-7-19(23)24/h4-6,8-11,13H,2-3,7,12,14H2,1H3,(H2,21,22,25)
InChIKeyUZQZXLCIDVMNFQ-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.53
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-3-[3-(2-oxopiperidin-1-yl)phenyl]urea

1-[(4-methoxyphenyl)methyl]-3-[3-(2-oxopiperidin-1-yl)phenyl]urea (PubChem CID 34700461) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-[3-(2-oxopiperidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-[3-(2-oxopiperidin-1-yl)phenyl]urea
PubChem CID34700461
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-[3-(2-oxopiperidin-1-yl)phenyl]urea
SMILESCOc1ccc(CNC(=O)Nc2cccc(N3CCCCC3=O)c2)cc1
InChIInChI=1S/C20H23N3O3/c1-26-18-10-8-15(9-11-18)14-21-20(25)22-16-5-4-6-17(13-16)23-12-3-2-7-19(23)24/h4-6,8-11,13H,2-3,7,12,14H2,1H3,(H2,21,22,25)
InChIKeyUZQZXLCIDVMNFQ-UHFFFAOYSA-N
XLogP3.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169678
1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169682
2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687689
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
N-[(4-methylphenyl)methyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 18584462
N-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 18584460
3-methoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687642
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 134056865
2,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687662
1-(6-methoxy-3-pyridinyl)-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 51116438
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea
CID 100683608
N-[(4-methoxyphenyl)methyl]-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680010

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[3-(2-oxopiperidin-1-yl)phenyl]urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[3-(2-oxopiperidin-1-yl)phenyl]urea (CID 34700461) is 1-[(4-methoxyphenyl)methyl]-3-[3-(2-oxopiperidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-[3-(2-oxopiperidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-[3-(2-oxopiperidin-1-yl)phenyl]urea is COc1ccc(CNC(=O)Nc2cccc(N3CCCCC3=O)c2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-[3-(2-oxopiperidin-1-yl)phenyl]urea?
The InChIKey is UZQZXLCIDVMNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-26-18-10-8-15(9-11-18)14-21-20(25)22-16-5-4-6-17(13-16)23-12-3-2-7-19(23)24/h4-6,8-11,13H,2-3,7,12,14H2,1H3,(H2,21,22,25).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-[3-(2-oxopiperidin-1-yl)phenyl]urea?
1-[(4-methoxyphenyl)methyl]-3-[3-(2-oxopiperidin-1-yl)phenyl]urea has a molecular weight of 353.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-[3-(2-oxopiperidin-1-yl)phenyl]urea is sourced from PubChem (CID 34700461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).