N-(2-aminoethyl)-1-[2-(3,4-dichlorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride

C17H24Cl3N3O3 — CID 119479851

IUPACN-(2-aminoethyl)-1-[2-(3,4-dichlorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCCC(C(=O)NCCN)C1.Cl
InChIInChI=1S/C17H23Cl2N3O3.ClH/c1-11(25-13-4-5-14(18)15(19)9-13)17(24)22-8-2-3-12(10-22)16(23)21-7-6-20;/h4-5,9,11-12H,2-3,6-8,10,20H2,1H3,(H,21,23);1H
InChIKeyGRWFJNHDQFFWGY-UHFFFAOYSA-N
MW424.76 g/mol
LogP2.50
Rot. Bonds6

About N-(2-aminoethyl)-1-[2-(3,4-dichlorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[2-(3,4-dichlorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119479851) has the molecular formula C17H24Cl3N3O3 and a molecular weight of 424.76 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-(3,4-dichlorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-(3,4-dichlorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119479851
Molecular FormulaC17H24Cl3N3O3
Molecular Weight424.76 g/mol
Exact Mass423.09
IUPAC NameN-(2-aminoethyl)-1-[2-(3,4-dichlorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCCC(C(=O)NCCN)C1.Cl
InChIInChI=1S/C17H23Cl2N3O3.ClH/c1-11(25-13-4-5-14(18)15(19)9-13)17(24)22-8-2-3-12(10-22)16(23)21-7-6-20;/h4-5,9,11-12H,2-3,6-8,10,20H2,1H3,(H,21,23);1H
InChIKeyGRWFJNHDQFFWGY-UHFFFAOYSA-N
XLogP2.50
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.76
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dichlorophenoxy)propanoyl]-N-ethylpiperidine-3-carboxamide
CID 49050190
N-(2-aminoethyl)-1-(2-methoxypropanoyl)piperidine-3-carboxamide;hydrochloride
CID 119482363
N-(2-aminoethyl)-1-[2-(2-bromophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119481152
2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112787311
N-(2-aminoethyl)-1-[2-(2-chlorophenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride
CID 119481611
N-(2-aminoethyl)-1-[2-(4-methoxyphenyl)sulfanylpropanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479394
N-(2-aminoethyl)-1-[2-(5-chlorothiophen-2-yl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119480023
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
N-(2-aminoethyl)-1-[2-chloro-5-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119482456
N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride
CID 119479980
N-(2-aminoethyl)-1-[2-(3-methoxyphenyl)propanoyl]piperidine-3-carboxamide
CID 119479891
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide
CID 119480976

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-(3,4-dichlorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[2-(3,4-dichlorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride (CID 119479851) is N-(2-aminoethyl)-1-[2-(3,4-dichlorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-(3,4-dichlorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[2-(3,4-dichlorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride is CC(Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCCC(C(=O)NCCN)C1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-[2-(3,4-dichlorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is GRWFJNHDQFFWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O3.ClH/c1-11(25-13-4-5-14(18)15(19)9-13)17(24)22-8-2-3-12(10-22)16(23)21-7-6-20;/h4-5,9,11-12H,2-3,6-8,10,20H2,1H3,(H,21,23);1H.
What are the key properties of N-(2-aminoethyl)-1-[2-(3,4-dichlorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[2-(3,4-dichlorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 424.76 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[2-(3,4-dichlorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119479851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).