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

C13H18FN3O — CID 117235479

IUPAC1-[(2-fluorophenyl)methyl]-3-piperidin-4-ylurea
SMILESO=C(NCc1ccccc1F)NC1CCNCC1
InChIInChI=1S/C13H18FN3O/c14-12-4-2-1-3-10(12)9-16-13(18)17-11-5-7-15-8-6-11/h1-4,11,15H,5-9H2,(H2,16,17,18)
InChIKeyCGKSMRKNZXDAMJ-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.38
Rot. Bonds3

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

1-[(2-fluorophenyl)methyl]-3-piperidin-4-ylurea (PubChem CID 117235479) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-piperidin-4-ylurea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-piperidin-4-ylurea
PubChem CID117235479
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name1-[(2-fluorophenyl)methyl]-3-piperidin-4-ylurea
SMILESO=C(NCc1ccccc1F)NC1CCNCC1
InChIInChI=1S/C13H18FN3O/c14-12-4-2-1-3-10(12)9-16-13(18)17-11-5-7-15-8-6-11/h1-4,11,15H,5-9H2,(H2,16,17,18)
InChIKeyCGKSMRKNZXDAMJ-UHFFFAOYSA-N
XLogP1.38
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-pyrrolidin-3-ylurea
CID 117235493
1-(2-fluorophenyl)-3-piperidin-4-ylurea
CID 16785411
N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679710
4-N-cyclopropyl-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109144675
1-[(2-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 131961678
2-[(2-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64818051
1-[(5-bromo-2-fluorophenyl)methyl]-3-cyclopropylurea
CID 47176805
1-[(3-hydroxyphenyl)methyl]-3-piperidin-4-ylurea
CID 117235378
1-(3,4-dihydro-2H-chromen-4-yl)-3-[(2-fluorophenyl)methyl]urea
CID 110866066
1-[(2-bromophenyl)methyl]-3-cyclobutylurea
CID 115618018
2-(2-fluorophenyl)-N-[4-(hydroxymethyl)cyclohexyl]acetamide
CID 115270081
2-phenyl-N-piperidin-4-ylacetamide
CID 1445168

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-piperidin-4-ylurea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-piperidin-4-ylurea (CID 117235479) is 1-[(2-fluorophenyl)methyl]-3-piperidin-4-ylurea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-piperidin-4-ylurea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-piperidin-4-ylurea is O=C(NCc1ccccc1F)NC1CCNCC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-piperidin-4-ylurea?
The InChIKey is CGKSMRKNZXDAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c14-12-4-2-1-3-10(12)9-16-13(18)17-11-5-7-15-8-6-11/h1-4,11,15H,5-9H2,(H2,16,17,18).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-piperidin-4-ylurea?
1-[(2-fluorophenyl)methyl]-3-piperidin-4-ylurea has a molecular weight of 251.30 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-piperidin-4-ylurea is sourced from PubChem (CID 117235479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).