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

C22H27N3O2 — CID 60614486

IUPAC1-[1-(2-methylphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
SMILESCc1ccccc1C(C)NC(=O)Nc1cccc(CN2CCCCC2=O)c1
InChIInChI=1S/C22H27N3O2/c1-16-8-3-4-11-20(16)17(2)23-22(27)24-19-10-7-9-18(14-19)15-25-13-6-5-12-21(25)26/h3-4,7-11,14,17H,5-6,12-13,15H2,1-2H3,(H2,23,24,27)
InChIKeyLSOKPZVXQXOCTC-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.39
Rot. Bonds5

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

1-[1-(2-methylphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea (PubChem CID 60614486) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-[1-(2-methylphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-[1-(2-methylphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
PubChem CID60614486
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-[1-(2-methylphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
SMILESCc1ccccc1C(C)NC(=O)Nc1cccc(CN2CCCCC2=O)c1
InChIInChI=1S/C22H27N3O2/c1-16-8-3-4-11-20(16)17(2)23-22(27)24-19-10-7-9-18(14-19)15-25-13-6-5-12-21(25)26/h3-4,7-11,14,17H,5-6,12-13,15H2,1-2H3,(H2,23,24,27)
InChIKeyLSOKPZVXQXOCTC-UHFFFAOYSA-N
XLogP4.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 49470702
1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 95314566
1-[(2R)-heptan-2-yl]-3-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 94784827
1-(1-acetylpiperidin-4-yl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 128960283
2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride
CID 119309661
N-[1-oxo-1-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]propan-2-yl]cyclopentanecarboxamide
CID 51119825
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide
CID 46600220
2-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide;hydrochloride
CID 119945120
3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide
CID 49360216
1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-[(1R)-1-phenylethyl]urea
CID 94801412
1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 60614426
1-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 94174304

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea?
The IUPAC name of 1-[1-(2-methylphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea (CID 60614486) is 1-[1-(2-methylphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-[1-(2-methylphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea?
The canonical SMILES for 1-[1-(2-methylphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea is Cc1ccccc1C(C)NC(=O)Nc1cccc(CN2CCCCC2=O)c1.
What is the InChIKey of 1-[1-(2-methylphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea?
The InChIKey is LSOKPZVXQXOCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-8-3-4-11-20(16)17(2)23-22(27)24-19-10-7-9-18(14-19)15-25-13-6-5-12-21(25)26/h3-4,7-11,14,17H,5-6,12-13,15H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-[1-(2-methylphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea?
1-[1-(2-methylphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea has a molecular weight of 365.48 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea is sourced from PubChem (CID 60614486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).