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

C14H20FN3O — CID 114955836

IUPAC1-(3-fluorophenyl)-3-[(4-methylpiperidin-3-yl)methyl]urea
SMILESCC1CCNCC1CNC(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H20FN3O/c1-10-5-6-16-8-11(10)9-17-14(19)18-13-4-2-3-12(15)7-13/h2-4,7,10-11,16H,5-6,8-9H2,1H3,(H2,17,18,19)
InChIKeyFNKLXRGRNSBNRK-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.19
Rot. Bonds3

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

1-(3-fluorophenyl)-3-[(4-methylpiperidin-3-yl)methyl]urea (PubChem CID 114955836) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[(4-methylpiperidin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[(4-methylpiperidin-3-yl)methyl]urea
PubChem CID114955836
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name1-(3-fluorophenyl)-3-[(4-methylpiperidin-3-yl)methyl]urea
SMILESCC1CCNCC1CNC(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H20FN3O/c1-10-5-6-16-8-11(10)9-17-14(19)18-13-4-2-3-12(15)7-13/h2-4,7,10-11,16H,5-6,8-9H2,1H3,(H2,17,18,19)
InChIKeyFNKLXRGRNSBNRK-UHFFFAOYSA-N
XLogP2.19
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea
CID 51892143
1-(3-methylphenyl)-3-[(3-methylpiperidin-4-yl)methyl]urea
CID 114700125
1-[(3-ethylpiperidin-2-yl)methyl]-3-(3-fluorophenyl)urea
CID 82734312
1-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835568
1-(4-fluorophenyl)-3-[[(3S,4S)-4-(4-fluorophenyl)piperidin-3-yl]methyl]urea
CID 166237374
2-(2,3-difluorophenyl)-N-[(4-methylpiperidin-3-yl)methyl]acetamide
CID 114955654
1-(3,4-difluorophenyl)-3-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]urea
CID 122562368
1-(3-fluorophenyl)-3-[[(2S,5R)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]methyl]urea
CID 22966109
1-[[(2S,4S)-4-benzylpiperidin-2-yl]methyl]-3-(3-fluorophenyl)urea
CID 22966146
pyrrolidin-3-ylmethyl N-(3-fluorophenyl)carbamate
CID 79338245
N-(3-fluorophenyl)piperazine-2-carboxamide
CID 63103446
N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 119308743

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[(4-methylpiperidin-3-yl)methyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[(4-methylpiperidin-3-yl)methyl]urea (CID 114955836) is 1-(3-fluorophenyl)-3-[(4-methylpiperidin-3-yl)methyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[(4-methylpiperidin-3-yl)methyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[(4-methylpiperidin-3-yl)methyl]urea is CC1CCNCC1CNC(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[(4-methylpiperidin-3-yl)methyl]urea?
The InChIKey is FNKLXRGRNSBNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-10-5-6-16-8-11(10)9-17-14(19)18-13-4-2-3-12(15)7-13/h2-4,7,10-11,16H,5-6,8-9H2,1H3,(H2,17,18,19).
What are the key properties of 1-(3-fluorophenyl)-3-[(4-methylpiperidin-3-yl)methyl]urea?
1-(3-fluorophenyl)-3-[(4-methylpiperidin-3-yl)methyl]urea has a molecular weight of 265.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[(4-methylpiperidin-3-yl)methyl]urea is sourced from PubChem (CID 114955836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).