1-(3,5-dichlorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one

C18H22Cl2N2O2 — CID 113191158

IUPAC1-(3,5-dichlorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCCC1CCCCN1C(=O)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C18H22Cl2N2O2/c1-2-15-5-3-4-6-21(15)18(24)12-7-17(23)22(11-12)16-9-13(19)8-14(20)10-16/h8-10,12,15H,2-7,11H2,1H3
InChIKeyTZWCQTGPLFSLDW-UHFFFAOYSA-N
MW369.29 g/mol
LogP4.14
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one

1-(3,5-dichlorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 113191158) has the molecular formula C18H22Cl2N2O2 and a molecular weight of 369.29 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one
PubChem CID113191158
Molecular FormulaC18H22Cl2N2O2
Molecular Weight369.29 g/mol
Exact Mass368.11
IUPAC Name1-(3,5-dichlorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCCC1CCCCN1C(=O)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C18H22Cl2N2O2/c1-2-15-5-3-4-6-21(15)18(24)12-7-17(23)22(11-12)16-9-13(19)8-14(20)10-16/h8-10,12,15H,2-7,11H2,1H3
InChIKeyTZWCQTGPLFSLDW-UHFFFAOYSA-N
XLogP4.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113192409
4-(2-ethylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188642
3-[4-(2-ethylpiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzonitrile
CID 113191916
(4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 9375187
4-(2-ethylpiperidine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188568
(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-ethylpiperidine-1-carboxamide
CID 7548618
1-butyl-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17082528
(4R)-1-butyl-4-[(2S)-2-ethylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9398270
4-(2-ethylpiperidine-1-carbonyl)-1-prop-2-enylpyrrolidin-2-one
CID 113181988
1-(3,5-dichlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119564050
1-(3-chloro-4-fluorophenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17225373
methyl 2-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-2-yl]acetate
CID 47074517

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(3,5-dichlorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one (CID 113191158) is 1-(3,5-dichlorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3,5-dichlorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one is CCC1CCCCN1C(=O)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is TZWCQTGPLFSLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N2O2/c1-2-15-5-3-4-6-21(15)18(24)12-7-17(23)22(11-12)16-9-13(19)8-14(20)10-16/h8-10,12,15H,2-7,11H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one?
1-(3,5-dichlorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 369.29 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 113191158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).