1-[(4-fluorophenyl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]urea

C15H22FN3O — CID 45497252

IUPAC1-[(4-fluorophenyl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]urea
SMILESCN1CCC(CNC(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3O/c1-19-8-6-13(7-9-19)11-18-15(20)17-10-12-2-4-14(16)5-3-12/h2-5,13H,6-11H2,1H3,(H2,17,18,20)
InChIKeyLEOUCXTXYZVXDS-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.97
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]urea

1-[(4-fluorophenyl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]urea (PubChem CID 45497252) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]urea
PubChem CID45497252
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]urea
SMILESCN1CCC(CNC(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3O/c1-19-8-6-13(7-9-19)11-18-15(20)17-10-12-2-4-14(16)5-3-12/h2-5,13H,6-11H2,1H3,(H2,17,18,20)
InChIKeyLEOUCXTXYZVXDS-UHFFFAOYSA-N
XLogP1.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Amperozide
CID 73333
Urea, N,N'-bis(phenylmethyl)-
CID 72889
Urea, N,N''-1,6-hexanediylbis[N'-(phenylmethyl)-
CID 2818389
Benzylurea
CID 10853
N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
1-Benzyl-3-cyclohexylurea
CID 544877
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
1-Benzylimidazolidin-2-one
CID 231403
2-(N-Butylcarbamoyl)-1,2,3,4-tetrahydroisoquinoline
CID 2900185
N-benzyl-4-cyclopentylpiperazine-1-carboxamide
CID 40012125
(2S)-N-(3-aminopropyl)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24901492

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]urea (CID 45497252) is 1-[(4-fluorophenyl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]urea is CN1CCC(CNC(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]urea?
The InChIKey is LEOUCXTXYZVXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-19-8-6-13(7-9-19)11-18-15(20)17-10-12-2-4-14(16)5-3-12/h2-5,13H,6-11H2,1H3,(H2,17,18,20).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]urea?
1-[(4-fluorophenyl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]urea has a molecular weight of 279.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[(1-methylpiperidin-4-yl)methyl]urea is sourced from PubChem (CID 45497252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).