4-amino-N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide

C13H17Cl2N3O — CID 79867440

IUPAC4-amino-N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)CCC1N
InChIInChI=1S/C13H17Cl2N3O/c1-8-7-18(5-4-12(8)16)13(19)17-9-2-3-10(14)11(15)6-9/h2-3,6,8,12H,4-5,7,16H2,1H3,(H,17,19)
InChIKeyHDTOROXMRGKLDA-UHFFFAOYSA-N
MW302.21 g/mol
LogP3.19
Rot. Bonds1

About 4-amino-N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide

4-amino-N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide (PubChem CID 79867440) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.21 g/mol. Its IUPAC name is 4-amino-N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
PubChem CID79867440
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name4-amino-N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)CCC1N
InChIInChI=1S/C13H17Cl2N3O/c1-8-7-18(5-4-12(8)16)13(19)17-9-2-3-10(14)11(15)6-9/h2-3,6,8,12H,4-5,7,16H2,1H3,(H,17,19)
InChIKeyHDTOROXMRGKLDA-UHFFFAOYSA-N
XLogP3.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
4-amino-N-(3-chloro-4-methylphenyl)-3-ethylpiperidine-1-carboxamide
CID 81458427
(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 40973267
N-(3-chloro-4-fluorophenyl)-3,6-dimethylazocane-1-carboxamide
CID 144845950
N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
CID 102934811
N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223585
N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
CID 102785989
4-N-(3,4-dichlorophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26577149
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
4-amino-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 79868065
N-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 62356957

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of 4-amino-N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide (CID 79867440) is 4-amino-N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-amino-N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide is CC1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)CCC1N.
What is the InChIKey of 4-amino-N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is HDTOROXMRGKLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c1-8-7-18(5-4-12(8)16)13(19)17-9-2-3-10(14)11(15)6-9/h2-3,6,8,12H,4-5,7,16H2,1H3,(H,17,19).
What are the key properties of 4-amino-N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide?
4-amino-N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 302.21 g/mol, XLogP of 3.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79867440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).