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

C21H24FN3O2 — CID 60614515

IUPAC1-[(4-fluorophenyl)methyl]-1-methyl-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
SMILESCN(Cc1ccc(F)cc1)C(=O)Nc1cccc(CN2CCCCC2=O)c1
InChIInChI=1S/C21H24FN3O2/c1-24(14-16-8-10-18(22)11-9-16)21(27)23-19-6-4-5-17(13-19)15-25-12-3-2-7-20(25)26/h4-6,8-11,13H,2-3,7,12,14-15H2,1H3,(H,23,27)
InChIKeySDBIFSPKTNSJKQ-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.00
Rot. Bonds5

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

1-[(4-fluorophenyl)methyl]-1-methyl-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea (PubChem CID 60614515) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-1-methyl-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-1-methyl-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
PubChem CID60614515
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name1-[(4-fluorophenyl)methyl]-1-methyl-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
SMILESCN(Cc1ccc(F)cc1)C(=O)Nc1cccc(CN2CCCCC2=O)c1
InChIInChI=1S/C21H24FN3O2/c1-24(14-16-8-10-18(22)11-9-16)21(27)23-19-6-4-5-17(13-19)15-25-12-3-2-7-20(25)26/h4-6,8-11,13H,2-3,7,12,14-15H2,1H3,(H,23,27)
InChIKeySDBIFSPKTNSJKQ-UHFFFAOYSA-N
XLogP4.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(4-fluorophenyl)methyl]-1-methyl-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea with MolForge

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Related Compounds

1-[(3-fluorophenyl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78892840
1-[3-(4-fluorophenyl)sulfanylpropyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 60614368
1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 49470702
2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride
CID 119309661
3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide
CID 49360216
N-[(4-bromophenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9159383
1-(3-fluorophenyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclobutane-1-carboxamide
CID 30875236
3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide
CID 30875155
1-[(4-fluorophenyl)methyl]azepan-2-one
CID 154273809
3-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
CID 119759695
1-[(4-fluorophenyl)-phenylmethyl]-1-methyl-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 78890454
2-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide;hydrochloride
CID 119945120

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-1-methyl-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-1-methyl-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea (CID 60614515) is 1-[(4-fluorophenyl)methyl]-1-methyl-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-1-methyl-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-1-methyl-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea is CN(Cc1ccc(F)cc1)C(=O)Nc1cccc(CN2CCCCC2=O)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-1-methyl-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea?
The InChIKey is SDBIFSPKTNSJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-24(14-16-8-10-18(22)11-9-16)21(27)23-19-6-4-5-17(13-19)15-25-12-3-2-7-20(25)26/h4-6,8-11,13H,2-3,7,12,14-15H2,1H3,(H,23,27).
What are the key properties of 1-[(4-fluorophenyl)methyl]-1-methyl-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea?
1-[(4-fluorophenyl)methyl]-1-methyl-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea has a molecular weight of 369.44 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-1-methyl-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea is sourced from PubChem (CID 60614515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).