1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride

C16H24ClFN4O2 — CID 119761796

IUPAC1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride
SMILESCNCC(=O)N1CCCC(CNC(=O)Nc2cccc(F)c2)C1.Cl
InChIInChI=1S/C16H23FN4O2.ClH/c1-18-10-15(22)21-7-3-4-12(11-21)9-19-16(23)20-14-6-2-5-13(17)8-14;/h2,5-6,8,12,18H,3-4,7,9-11H2,1H3,(H2,19,20,23);1H
InChIKeyIHNMDUVCFYAWEJ-UHFFFAOYSA-N
MW358.85 g/mol
LogP1.83
Rot. Bonds5

About 1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride

1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride (PubChem CID 119761796) has the molecular formula C16H24ClFN4O2 and a molecular weight of 358.85 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride
PubChem CID119761796
Molecular FormulaC16H24ClFN4O2
Molecular Weight358.85 g/mol
Exact Mass358.16
IUPAC Name1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride
SMILESCNCC(=O)N1CCCC(CNC(=O)Nc2cccc(F)c2)C1.Cl
InChIInChI=1S/C16H23FN4O2.ClH/c1-18-10-15(22)21-7-3-4-12(11-21)9-19-16(23)20-14-6-2-5-13(17)8-14;/h2,5-6,8,12,18H,3-4,7,9-11H2,1H3,(H2,19,20,23);1H
InChIKeyIHNMDUVCFYAWEJ-UHFFFAOYSA-N
XLogP1.83
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride 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-[[1-(3-aminobutanoyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 119761814
1-[[1-(3-amino-3-phenylpropanoyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 119950913
1-[[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 120988664
1-[[(3S)-1-[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 52871823
N-[[4-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carbonyl]phenyl]methyl]acetamide
CID 56504186
1-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 119310869
1-(3-fluorophenyl)-3-[[1-[2-(4-fluorophenyl)sulfonylpropanoyl]piperidin-3-yl]methyl]urea
CID 51134754
1-(3-fluorophenyl)-3-[[(3R)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidin-3-yl]methyl]urea
CID 52522857
1-(3-fluorophenyl)-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]urea
CID 95154909
1-[[1-(2-amino-2-methylpropyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 120848105
1-(3-fluorophenyl)-3-[[1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidin-3-yl]methyl]urea
CID 56503164
1-(3-fluorophenyl)-3-[[1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methyl]urea
CID 56502656

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride?
The IUPAC name of 1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride (CID 119761796) is 1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride?
The canonical SMILES for 1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride is CNCC(=O)N1CCCC(CNC(=O)Nc2cccc(F)c2)C1.Cl.
What is the InChIKey of 1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride?
The InChIKey is IHNMDUVCFYAWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O2.ClH/c1-18-10-15(22)21-7-3-4-12(11-21)9-19-16(23)20-14-6-2-5-13(17)8-14;/h2,5-6,8,12,18H,3-4,7,9-11H2,1H3,(H2,19,20,23);1H.
What are the key properties of 1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride?
1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride has a molecular weight of 358.85 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride is sourced from PubChem (CID 119761796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).