1-[(2-fluoro-4-methylphenyl)methyl]-3-methyl-1-piperidin-4-ylurea

C15H22FN3O — CID 142534766

IUPAC1-[(2-fluoro-4-methylphenyl)methyl]-3-methyl-1-piperidin-4-ylurea
SMILESCNC(=O)N(Cc1ccc(C)cc1F)C1CCNCC1
InChIInChI=1S/C15H22FN3O/c1-11-3-4-12(14(16)9-11)10-19(15(20)17-2)13-5-7-18-8-6-13/h3-4,9,13,18H,5-8,10H2,1-2H3,(H,17,20)
InChIKeyIFOIDDPWQOIROM-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.03
Rot. Bonds3

About 1-[(2-fluoro-4-methylphenyl)methyl]-3-methyl-1-piperidin-4-ylurea

1-[(2-fluoro-4-methylphenyl)methyl]-3-methyl-1-piperidin-4-ylurea (PubChem CID 142534766) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[(2-fluoro-4-methylphenyl)methyl]-3-methyl-1-piperidin-4-ylurea.

Molecular Properties

Compound Name1-[(2-fluoro-4-methylphenyl)methyl]-3-methyl-1-piperidin-4-ylurea
PubChem CID142534766
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name1-[(2-fluoro-4-methylphenyl)methyl]-3-methyl-1-piperidin-4-ylurea
SMILESCNC(=O)N(Cc1ccc(C)cc1F)C1CCNCC1
InChIInChI=1S/C15H22FN3O/c1-11-3-4-12(14(16)9-11)10-19(15(20)17-2)13-5-7-18-8-6-13/h3-4,9,13,18H,5-8,10H2,1-2H3,(H,17,20)
InChIKeyIFOIDDPWQOIROM-UHFFFAOYSA-N
XLogP2.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N,4-dimethyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443710
N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide
CID 62514257
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 44578112
N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine
CID 83713467
1-[(4-chloro-2-fluorophenyl)methyl]-1-piperidin-4-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea;2,2,2-trifluoroacetic acid
CID 162323862
N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide
CID 11602353
2-fluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387686
2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389290
N-ethyl-2,4-dimethyl-N-piperidin-4-ylbenzamide
CID 60807085
3-(2,4-difluorophenyl)-1-ethyl-1-piperidin-4-ylurea
CID 60805584
N-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297959
1-benzyl-1-cyclopropyl-3-(2-fluoro-5-methylphenyl)urea
CID 86987326

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-methylphenyl)methyl]-3-methyl-1-piperidin-4-ylurea?
The IUPAC name of 1-[(2-fluoro-4-methylphenyl)methyl]-3-methyl-1-piperidin-4-ylurea (CID 142534766) is 1-[(2-fluoro-4-methylphenyl)methyl]-3-methyl-1-piperidin-4-ylurea.
What is the SMILES notation for 1-[(2-fluoro-4-methylphenyl)methyl]-3-methyl-1-piperidin-4-ylurea?
The canonical SMILES for 1-[(2-fluoro-4-methylphenyl)methyl]-3-methyl-1-piperidin-4-ylurea is CNC(=O)N(Cc1ccc(C)cc1F)C1CCNCC1.
What is the InChIKey of 1-[(2-fluoro-4-methylphenyl)methyl]-3-methyl-1-piperidin-4-ylurea?
The InChIKey is IFOIDDPWQOIROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-11-3-4-12(14(16)9-11)10-19(15(20)17-2)13-5-7-18-8-6-13/h3-4,9,13,18H,5-8,10H2,1-2H3,(H,17,20).
What are the key properties of 1-[(2-fluoro-4-methylphenyl)methyl]-3-methyl-1-piperidin-4-ylurea?
1-[(2-fluoro-4-methylphenyl)methyl]-3-methyl-1-piperidin-4-ylurea has a molecular weight of 279.36 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-methylphenyl)methyl]-3-methyl-1-piperidin-4-ylurea is sourced from PubChem (CID 142534766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).