N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride

C13H17Cl3N2O — CID 119263512

IUPACN-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(Cl)cc1Cl)C1CCCNC1
InChIInChI=1S/C13H16Cl2N2O.ClH/c14-11-4-3-9(12(15)6-11)8-17-13(18)10-2-1-5-16-7-10;/h3-4,6,10,16H,1-2,5,7-8H2,(H,17,18);1H
InChIKeyKAPRGKRQJOPMIT-UHFFFAOYSA-N
MW323.65 g/mol
LogP3.03
Rot. Bonds3

About N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride

N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119263512) has the molecular formula C13H17Cl3N2O and a molecular weight of 323.65 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119263512
Molecular FormulaC13H17Cl3N2O
Molecular Weight323.65 g/mol
Exact Mass322.04
IUPAC NameN-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(Cl)cc1Cl)C1CCCNC1
InChIInChI=1S/C13H16Cl2N2O.ClH/c14-11-4-3-9(12(15)6-11)8-17-13(18)10-2-1-5-16-7-10;/h3-4,6,10,16H,1-2,5,7-8H2,(H,17,18);1H
InChIKeyKAPRGKRQJOPMIT-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.65
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2,4-dichlorophenyl)methyl]piperidine-3-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

(3R)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 94705337
N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119263502
N-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 115159517
2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119459765
(3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 124591380
2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid
CID 81317773
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119813987
N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574
(3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide
CID 81141738
N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770651
N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 63362624
N-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119302304

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride (CID 119263512) is N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(NCc1ccc(Cl)cc1Cl)C1CCCNC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is KAPRGKRQJOPMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O.ClH/c14-11-4-3-9(12(15)6-11)8-17-13(18)10-2-1-5-16-7-10;/h3-4,6,10,16H,1-2,5,7-8H2,(H,17,18);1H.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride?
N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 323.65 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119263512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).