1-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-[(4-fluorophenyl)methyl]urea;hydrochloride

C21H34ClFN4O2 — CID 119647170

IUPAC1-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-[(4-fluorophenyl)methyl]urea;hydrochloride
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)N1CCC(CNCC)CC1.Cl
InChIInChI=1S/C21H33FN4O2.ClH/c1-3-5-19(20(27)26-12-10-17(11-13-26)14-23-4-2)25-21(28)24-15-16-6-8-18(22)9-7-16;/h6-9,17,19,23H,3-5,10-15H2,1-2H3,(H2,24,25,28);1H
InChIKeyUFJRKAQUGCKOSA-UHFFFAOYSA-N
MW428.98 g/mol
LogP3.06
Rot. Bonds9

About 1-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-[(4-fluorophenyl)methyl]urea;hydrochloride

1-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-[(4-fluorophenyl)methyl]urea;hydrochloride (PubChem CID 119647170) has the molecular formula C21H34ClFN4O2 and a molecular weight of 428.98 g/mol. Its IUPAC name is 1-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-[(4-fluorophenyl)methyl]urea;hydrochloride.

Molecular Properties

Compound Name1-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-[(4-fluorophenyl)methyl]urea;hydrochloride
PubChem CID119647170
Molecular FormulaC21H34ClFN4O2
Molecular Weight428.98 g/mol
Exact Mass428.24
IUPAC Name1-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-[(4-fluorophenyl)methyl]urea;hydrochloride
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)N1CCC(CNCC)CC1.Cl
InChIInChI=1S/C21H33FN4O2.ClH/c1-3-5-19(20(27)26-12-10-17(11-13-26)14-23-4-2)25-21(28)24-15-16-6-8-18(22)9-7-16;/h6-9,17,19,23H,3-5,10-15H2,1-2H3,(H2,24,25,28);1H
InChIKeyUFJRKAQUGCKOSA-UHFFFAOYSA-N
XLogP3.06
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.98
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-[(4-fluorophenyl)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-[(4-fluorophenyl)methyl]-3-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]urea;hydrochloride
CID 119541243
1-[(4-fluorophenyl)methyl]-3-[1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]urea
CID 42933803
1-[1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-oxopentan-2-yl]-3-[(4-fluorophenyl)methyl]urea
CID 55502915
1-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251312
1-[(4-fluorophenyl)methyl]-3-[1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]urea
CID 42883941
N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24678029
1-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopentan-2-yl]-3-[(4-bromophenyl)methyl]urea
CID 119409965
1-[(4-fluorophenyl)methyl]-3-[1-[4-(3-hydroxyphenyl)piperazin-1-yl]-1-oxopentan-2-yl]urea
CID 112808098
2-[4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55518440
1-[(4-fluorophenyl)methyl]-3-[1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-1-oxopentan-2-yl]urea
CID 55754127
2-[4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55518026
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone;hydrochloride
CID 119261256

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-[(4-fluorophenyl)methyl]urea;hydrochloride?
The IUPAC name of 1-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-[(4-fluorophenyl)methyl]urea;hydrochloride (CID 119647170) is 1-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-[(4-fluorophenyl)methyl]urea;hydrochloride.
What is the SMILES notation for 1-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-[(4-fluorophenyl)methyl]urea;hydrochloride?
The canonical SMILES for 1-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-[(4-fluorophenyl)methyl]urea;hydrochloride is CCCC(NC(=O)NCc1ccc(F)cc1)C(=O)N1CCC(CNCC)CC1.Cl.
What is the InChIKey of 1-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-[(4-fluorophenyl)methyl]urea;hydrochloride?
The InChIKey is UFJRKAQUGCKOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33FN4O2.ClH/c1-3-5-19(20(27)26-12-10-17(11-13-26)14-23-4-2)25-21(28)24-15-16-6-8-18(22)9-7-16;/h6-9,17,19,23H,3-5,10-15H2,1-2H3,(H2,24,25,28);1H.
What are the key properties of 1-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-[(4-fluorophenyl)methyl]urea;hydrochloride?
1-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-[(4-fluorophenyl)methyl]urea;hydrochloride has a molecular weight of 428.98 g/mol, XLogP of 3.06, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-[(4-fluorophenyl)methyl]urea;hydrochloride is sourced from PubChem (CID 119647170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).