1-(2-aminopentanoyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride

C19H29ClFN3O2 — CID 119287980

IUPAC1-(2-aminopentanoyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCCCC(N)C(=O)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1.Cl
InChIInChI=1S/C19H28FN3O2.ClH/c1-3-4-17(21)19(25)23-9-7-15(8-10-23)18(24)22-12-14-6-5-13(2)16(20)11-14;/h5-6,11,15,17H,3-4,7-10,12,21H2,1-2H3,(H,22,24);1H
InChIKeyRGIXKIDJQJTCFH-UHFFFAOYSA-N
MW385.91 g/mol
LogP2.54
Rot. Bonds6

About 1-(2-aminopentanoyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride

1-(2-aminopentanoyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119287980) has the molecular formula C19H29ClFN3O2 and a molecular weight of 385.91 g/mol. Its IUPAC name is 1-(2-aminopentanoyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-aminopentanoyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119287980
Molecular FormulaC19H29ClFN3O2
Molecular Weight385.91 g/mol
Exact Mass385.19
IUPAC Name1-(2-aminopentanoyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCCCC(N)C(=O)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1.Cl
InChIInChI=1S/C19H28FN3O2.ClH/c1-3-4-17(21)19(25)23-9-7-15(8-10-23)18(24)22-12-14-6-5-13(2)16(20)11-14;/h5-6,11,15,17H,3-4,7-10,12,21H2,1-2H3,(H,22,24);1H
InChIKeyRGIXKIDJQJTCFH-UHFFFAOYSA-N
XLogP2.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.91
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-aminopentanoyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide;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-[(2R)-2-aminopropanoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119287979
1-(2-aminopentanoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119309434
N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-(methylamino)acetyl]piperidine-4-carboxamide
CID 119720842
1-(3-amino-3-phenylpropanoyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119949794
cis-(1S,3R)-3-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065329
(2R)-2-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidin-1-yl]propanoic acid
CID 124689641
N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-(4-sulfamoylphenyl)acetyl]piperidine-4-carboxamide
CID 56553008
1-[3-(2-aminophenyl)propanoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120608968
1-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 55843226
1-[(2S)-2-amino-4-methylpentanoyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119759325
N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 17469505
N-[(3-fluoro-4-methylphenyl)methyl]-1-(piperidine-2-carbonyl)piperidine-4-carboxamide
CID 119287959

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopentanoyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(2-aminopentanoyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride (CID 119287980) is 1-(2-aminopentanoyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-aminopentanoyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-aminopentanoyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride is CCCC(N)C(=O)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1.Cl.
What is the InChIKey of 1-(2-aminopentanoyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is RGIXKIDJQJTCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2.ClH/c1-3-4-17(21)19(25)23-9-7-15(8-10-23)18(24)22-12-14-6-5-13(2)16(20)11-14;/h5-6,11,15,17H,3-4,7-10,12,21H2,1-2H3,(H,22,24);1H.
What are the key properties of 1-(2-aminopentanoyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
1-(2-aminopentanoyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 385.91 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopentanoyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119287980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).