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

C20H23N3O2 — CID 49470702

IUPAC1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
SMILESCc1ccc(NC(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1
InChIInChI=1S/C20H23N3O2/c1-15-8-10-17(11-9-15)21-20(25)22-18-6-4-5-16(13-18)14-23-12-3-2-7-19(23)24/h4-6,8-11,13H,2-3,7,12,14H2,1H3,(H2,21,22,25)
InChIKeyCXWPVJKSQSMTIW-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.15
Rot. Bonds4

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

1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea (PubChem CID 49470702) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
PubChem CID49470702
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
SMILESCc1ccc(NC(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1
InChIInChI=1S/C20H23N3O2/c1-15-8-10-17(11-9-15)21-20(25)22-18-6-4-5-16(13-18)14-23-12-3-2-7-19(23)24/h4-6,8-11,13H,2-3,7,12,14H2,1H3,(H2,21,22,25)
InChIKeyCXWPVJKSQSMTIW-UHFFFAOYSA-N
XLogP4.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride
CID 119309661
1-[1-(2-methylphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 60614486
1-(1-acetylpiperidin-4-yl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 128960283
3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide
CID 49360216
3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide
CID 30875155
3-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
CID 119759695
2-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide;hydrochloride
CID 119945120
1-[(2R)-heptan-2-yl]-3-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 94784827
1-[(4-fluorophenyl)methyl]-1-methyl-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 60614515
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hexanamide
CID 37359459
(3aS,6aS)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide
CID 99778301
1-[(3-methylphenyl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 38387385

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea (CID 49470702) is 1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea is Cc1ccc(NC(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea?
The InChIKey is CXWPVJKSQSMTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-8-10-17(11-9-15)21-20(25)22-18-6-4-5-16(13-18)14-23-12-3-2-7-19(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-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea?
1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea has a molecular weight of 337.42 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea is sourced from PubChem (CID 49470702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).