N-[2-(2,4-dichlorophenyl)ethyl]-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide

C20H28Cl2N2O2 — CID 113123318

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCCC1CCCCN1C(=O)CCN(CCc1ccc(Cl)cc1Cl)C(C)=O
InChIInChI=1S/C20H28Cl2N2O2/c1-3-18-6-4-5-11-24(18)20(26)10-13-23(15(2)25)12-9-16-7-8-17(21)14-19(16)22/h7-8,14,18H,3-6,9-13H2,1-2H3
InChIKeyRIYRDDDDHNYPCQ-UHFFFAOYSA-N
MW399.36 g/mol
LogP4.57
Rot. Bonds7

About N-[2-(2,4-dichlorophenyl)ethyl]-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide

N-[2-(2,4-dichlorophenyl)ethyl]-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide (PubChem CID 113123318) has the molecular formula C20H28Cl2N2O2 and a molecular weight of 399.36 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
PubChem CID113123318
Molecular FormulaC20H28Cl2N2O2
Molecular Weight399.36 g/mol
Exact Mass398.15
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCCC1CCCCN1C(=O)CCN(CCc1ccc(Cl)cc1Cl)C(C)=O
InChIInChI=1S/C20H28Cl2N2O2/c1-3-18-6-4-5-11-24(18)20(26)10-13-23(15(2)25)12-9-16-7-8-17(21)14-19(16)22/h7-8,14,18H,3-6,9-13H2,1-2H3
InChIKeyRIYRDDDDHNYPCQ-UHFFFAOYSA-N
XLogP4.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.36
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113121783
methyl 2-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-2-yl]acetate
CID 60520938
N-(2,6-dichlorophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113134208
3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-cycloheptylpropanamide
CID 113123314
N-(2,3-dichlorophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113134315
(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 5060806
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113164856
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113124001
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113164380
4-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)butan-1-one
CID 5181797
N-(2,6-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113124884
2-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 4051969

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide (CID 113123318) is N-[2-(2,4-dichlorophenyl)ethyl]-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide is CCC1CCCCN1C(=O)CCN(CCc1ccc(Cl)cc1Cl)C(C)=O.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is RIYRDDDDHNYPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28Cl2N2O2/c1-3-18-6-4-5-11-24(18)20(26)10-13-23(15(2)25)12-9-16-7-8-17(21)14-19(16)22/h7-8,14,18H,3-6,9-13H2,1-2H3.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide?
N-[2-(2,4-dichlorophenyl)ethyl]-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 399.36 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113123318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).