1-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride

C21H26ClFN4O2 — CID 119310869

IUPAC1-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
SMILESCl.NCc1ccc(C(=O)N2CCCC(CNC(=O)Nc3cccc(F)c3)C2)cc1
InChIInChI=1S/C21H25FN4O2.ClH/c22-18-4-1-5-19(11-18)25-21(28)24-13-16-3-2-10-26(14-16)20(27)17-8-6-15(12-23)7-9-17;/h1,4-9,11,16H,2-3,10,12-14,23H2,(H2,24,25,28);1H
InChIKeyXUUMNLLEAPYERI-UHFFFAOYSA-N
MW420.92 g/mol
LogP3.38
Rot. Bonds5

About 1-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride

1-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride (PubChem CID 119310869) has the molecular formula C21H26ClFN4O2 and a molecular weight of 420.92 g/mol. Its IUPAC name is 1-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride.

Molecular Properties

Compound Name1-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
PubChem CID119310869
Molecular FormulaC21H26ClFN4O2
Molecular Weight420.92 g/mol
Exact Mass420.17
IUPAC Name1-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
SMILESCl.NCc1ccc(C(=O)N2CCCC(CNC(=O)Nc3cccc(F)c3)C2)cc1
InChIInChI=1S/C21H25FN4O2.ClH/c22-18-4-1-5-19(11-18)25-21(28)24-13-16-3-2-10-26(14-16)20(27)17-8-6-15(12-23)7-9-17;/h1,4-9,11,16H,2-3,10,12-14,23H2,(H2,24,25,28);1H
InChIKeyXUUMNLLEAPYERI-UHFFFAOYSA-N
XLogP3.38
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)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

N-[[4-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carbonyl]phenyl]methyl]acetamide
CID 56504186
1-(3-fluorophenyl)-3-[[1-(4-pyrazol-1-ylbenzoyl)piperidin-3-yl]methyl]urea
CID 56503800
N-[3-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carbonyl]phenyl]propanamide
CID 56504192
1-(3-fluorophenyl)-3-[[1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-3-yl]methyl]urea
CID 56503675
1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride
CID 119761796
1-[[1-(3-aminobutanoyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 119761814
1-[[(3S)-1-[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 52871823
1-[[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 120988664
1-[[1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 56503165
1-[[1-(3-amino-3-phenylpropanoyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 119950913
1-[[1-[6-(dimethylamino)pyridazine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 56511706
1-[[1-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 56509303

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride?
The IUPAC name of 1-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride (CID 119310869) is 1-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride.
What is the SMILES notation for 1-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride?
The canonical SMILES for 1-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride is Cl.NCc1ccc(C(=O)N2CCCC(CNC(=O)Nc3cccc(F)c3)C2)cc1.
What is the InChIKey of 1-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride?
The InChIKey is XUUMNLLEAPYERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2.ClH/c22-18-4-1-5-19(11-18)25-21(28)24-13-16-3-2-10-26(14-16)20(27)17-8-6-15(12-23)7-9-17;/h1,4-9,11,16H,2-3,10,12-14,23H2,(H2,24,25,28);1H.
What are the key properties of 1-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride?
1-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride has a molecular weight of 420.92 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride is sourced from PubChem (CID 119310869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).