4-amino-N-(3-chloro-4-methylphenyl)-3-ethylpiperidine-1-carboxamide

C15H22ClN3O — CID 81458427

IUPAC4-amino-N-(3-chloro-4-methylphenyl)-3-ethylpiperidine-1-carboxamide
SMILESCCC1CN(C(=O)Nc2ccc(C)c(Cl)c2)CCC1N
InChIInChI=1S/C15H22ClN3O/c1-3-11-9-19(7-6-14(11)17)15(20)18-12-5-4-10(2)13(16)8-12/h4-5,8,11,14H,3,6-7,9,17H2,1-2H3,(H,18,20)
InChIKeyCSPLFPBCXMJTRJ-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.24
Rot. Bonds2

About 4-amino-N-(3-chloro-4-methylphenyl)-3-ethylpiperidine-1-carboxamide

4-amino-N-(3-chloro-4-methylphenyl)-3-ethylpiperidine-1-carboxamide (PubChem CID 81458427) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-4-methylphenyl)-3-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-4-methylphenyl)-3-ethylpiperidine-1-carboxamide
PubChem CID81458427
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name4-amino-N-(3-chloro-4-methylphenyl)-3-ethylpiperidine-1-carboxamide
SMILESCCC1CN(C(=O)Nc2ccc(C)c(Cl)c2)CCC1N
InChIInChI=1S/C15H22ClN3O/c1-3-11-9-19(7-6-14(11)17)15(20)18-12-5-4-10(2)13(16)8-12/h4-5,8,11,14H,3,6-7,9,17H2,1-2H3,(H,18,20)
InChIKeyCSPLFPBCXMJTRJ-UHFFFAOYSA-N
XLogP3.24
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-N-(3-chloro-4-methylphenyl)-3-ethylpiperidine-1-carboxamide 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

4-amino-N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 79867440
ethyl 1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-3-carboxylate
CID 3261941
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093
4-acetyl-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 23907940
1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 113007300
N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 80703460
N-(3-chloro-4-methylphenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoacetamide
CID 111567113
(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone
CID 106499980
N-(3-chloro-4-methylphenyl)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxamide
CID 114779044
(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
N-(3-chloro-4-methylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 110901727
(2R)-N-(3-chloro-4-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 47480669

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-4-methylphenyl)-3-ethylpiperidine-1-carboxamide?
The IUPAC name of 4-amino-N-(3-chloro-4-methylphenyl)-3-ethylpiperidine-1-carboxamide (CID 81458427) is 4-amino-N-(3-chloro-4-methylphenyl)-3-ethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3-chloro-4-methylphenyl)-3-ethylpiperidine-1-carboxamide?
The canonical SMILES for 4-amino-N-(3-chloro-4-methylphenyl)-3-ethylpiperidine-1-carboxamide is CCC1CN(C(=O)Nc2ccc(C)c(Cl)c2)CCC1N.
What is the InChIKey of 4-amino-N-(3-chloro-4-methylphenyl)-3-ethylpiperidine-1-carboxamide?
The InChIKey is CSPLFPBCXMJTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-3-11-9-19(7-6-14(11)17)15(20)18-12-5-4-10(2)13(16)8-12/h4-5,8,11,14H,3,6-7,9,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-(3-chloro-4-methylphenyl)-3-ethylpiperidine-1-carboxamide?
4-amino-N-(3-chloro-4-methylphenyl)-3-ethylpiperidine-1-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-4-methylphenyl)-3-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 81458427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).