N-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride

C14H19Cl3N2O — CID 119302304

IUPACN-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1c(Cl)cccc1Cl)C1CCCNC1
InChIInChI=1S/C14H18Cl2N2O.ClH/c15-12-4-1-5-13(16)11(12)6-8-18-14(19)10-3-2-7-17-9-10;/h1,4-5,10,17H,2-3,6-9H2,(H,18,19);1H
InChIKeyJUQPTHYPSGKPLV-UHFFFAOYSA-N
MW337.68 g/mol
LogP3.07
Rot. Bonds4

About N-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride

N-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119302304) has the molecular formula C14H19Cl3N2O and a molecular weight of 337.68 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119302304
Molecular FormulaC14H19Cl3N2O
Molecular Weight337.68 g/mol
Exact Mass336.06
IUPAC NameN-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1c(Cl)cccc1Cl)C1CCCNC1
InChIInChI=1S/C14H18Cl2N2O.ClH/c15-12-4-1-5-13(16)11(12)6-8-18-14(19)10-3-2-7-17-9-10;/h1,4-5,10,17H,2-3,6-9H2,(H,18,19);1H
InChIKeyJUQPTHYPSGKPLV-UHFFFAOYSA-N
XLogP3.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.68
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 28807337
(3R)-N-[2-(7-chloro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 138057346
(3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-3-carboxamide
CID 106047918
N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119270431
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 154759784
N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 43566290
N-[2-(4-hydroxyphenyl)ethyl]piperidine-3-carboxamide
CID 61238567
(2S,4S)-N-[2-(2,6-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120625296
N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119842424
2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone
CID 116547963
N-[2-(2,4,6-trimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119320836
N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63006996

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride (CID 119302304) is N-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(NCCc1c(Cl)cccc1Cl)C1CCCNC1.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is JUQPTHYPSGKPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O.ClH/c15-12-4-1-5-13(16)11(12)6-8-18-14(19)10-3-2-7-17-9-10;/h1,4-5,10,17H,2-3,6-9H2,(H,18,19);1H.
What are the key properties of N-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
N-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 337.68 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119302304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).