1-[2-(3,4-dichlorophenoxy)propanoyl]-N-ethylpiperidine-3-carboxamide

C17H22Cl2N2O3 — CID 49050190

IUPAC1-[2-(3,4-dichlorophenoxy)propanoyl]-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(C(=O)C(C)Oc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H22Cl2N2O3/c1-3-20-16(22)12-5-4-8-21(10-12)17(23)11(2)24-13-6-7-14(18)15(19)9-13/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,20,22)
InChIKeyAKDVIZHKAYVBKB-UHFFFAOYSA-N
MW373.28 g/mol
LogP3.14
Rot. Bonds5

About 1-[2-(3,4-dichlorophenoxy)propanoyl]-N-ethylpiperidine-3-carboxamide

1-[2-(3,4-dichlorophenoxy)propanoyl]-N-ethylpiperidine-3-carboxamide (PubChem CID 49050190) has the molecular formula C17H22Cl2N2O3 and a molecular weight of 373.28 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenoxy)propanoyl]-N-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenoxy)propanoyl]-N-ethylpiperidine-3-carboxamide
PubChem CID49050190
Molecular FormulaC17H22Cl2N2O3
Molecular Weight373.28 g/mol
Exact Mass372.10
IUPAC Name1-[2-(3,4-dichlorophenoxy)propanoyl]-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(C(=O)C(C)Oc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H22Cl2N2O3/c1-3-20-16(22)12-5-4-8-21(10-12)17(23)11(2)24-13-6-7-14(18)15(19)9-13/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,20,22)
InChIKeyAKDVIZHKAYVBKB-UHFFFAOYSA-N
XLogP3.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-[2-(3,4-dichlorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479851
2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112787311
N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
(3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide
CID 95318260
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3,4-dichlorophenoxy)propan-1-one
CID 55792554
1-(3-anilinopyrrolidin-1-yl)-2-(3,4-dichlorophenoxy)propan-1-one
CID 56503956
(3R)-1-[(2R)-2-(3,5-dichlorophenoxy)propanoyl]piperidine-3-carboxamide
CID 95167870
1-(3,4-dichlorobenzoyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 55633427
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3,4-dichlorophenoxy)propan-1-one
CID 119635706
1-N-(3-butan-2-yloxyphenyl)-3-N-ethylpiperidine-1,3-dicarboxamide
CID 49117902
1-(3,4-dichlorobenzoyl)-N-(2-hydroxypropyl)piperidine-3-carboxamide
CID 78862407
methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate
CID 108731321

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenoxy)propanoyl]-N-ethylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(3,4-dichlorophenoxy)propanoyl]-N-ethylpiperidine-3-carboxamide (CID 49050190) is 1-[2-(3,4-dichlorophenoxy)propanoyl]-N-ethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3,4-dichlorophenoxy)propanoyl]-N-ethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3,4-dichlorophenoxy)propanoyl]-N-ethylpiperidine-3-carboxamide is CCNC(=O)C1CCCN(C(=O)C(C)Oc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-[2-(3,4-dichlorophenoxy)propanoyl]-N-ethylpiperidine-3-carboxamide?
The InChIKey is AKDVIZHKAYVBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O3/c1-3-20-16(22)12-5-4-8-21(10-12)17(23)11(2)24-13-6-7-14(18)15(19)9-13/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,20,22).
What are the key properties of 1-[2-(3,4-dichlorophenoxy)propanoyl]-N-ethylpiperidine-3-carboxamide?
1-[2-(3,4-dichlorophenoxy)propanoyl]-N-ethylpiperidine-3-carboxamide has a molecular weight of 373.28 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenoxy)propanoyl]-N-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 49050190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).