3-[4-(2-ethylpiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzonitrile

C19H23N3O2 — CID 113191916

IUPAC3-[4-(2-ethylpiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzonitrile
SMILESCCC1CCCCN1C(=O)C1CC(=O)N(c2cccc(C#N)c2)C1
InChIInChI=1S/C19H23N3O2/c1-2-16-7-3-4-9-21(16)19(24)15-11-18(23)22(13-15)17-8-5-6-14(10-17)12-20/h5-6,8,10,15-16H,2-4,7,9,11,13H2,1H3
InChIKeyWMPPOLJZTSQAQT-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.70
Rot. Bonds3

About 3-[4-(2-ethylpiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzonitrile

3-[4-(2-ethylpiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzonitrile (PubChem CID 113191916) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[4-(2-ethylpiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzonitrile.

Molecular Properties

Compound Name3-[4-(2-ethylpiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzonitrile
PubChem CID113191916
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[4-(2-ethylpiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzonitrile
SMILESCCC1CCCCN1C(=O)C1CC(=O)N(c2cccc(C#N)c2)C1
InChIInChI=1S/C19H23N3O2/c1-2-16-7-3-4-9-21(16)19(24)15-11-18(23)22(13-15)17-8-5-6-14(10-17)12-20/h5-6,8,10,15-16H,2-4,7,9,11,13H2,1H3
InChIKeyWMPPOLJZTSQAQT-UHFFFAOYSA-N
XLogP2.70
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188642
1-(3,4-difluorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113192409
1-(3,5-dichlorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113191158
(3R)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 30121276
(4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 9375187
4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-one
CID 119633918
4-(2-ethylpiperidine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188568
methyl 2-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-2-yl]acetate
CID 47074517
(2R)-2-ethyl-N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 7546843
1-(3-cyanophenyl)-N-(2,6-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191969
N-(3-cyanophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946600
3-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile
CID 113191911

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-ethylpiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzonitrile?
The IUPAC name of 3-[4-(2-ethylpiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzonitrile (CID 113191916) is 3-[4-(2-ethylpiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzonitrile.
What is the SMILES notation for 3-[4-(2-ethylpiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzonitrile?
The canonical SMILES for 3-[4-(2-ethylpiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzonitrile is CCC1CCCCN1C(=O)C1CC(=O)N(c2cccc(C#N)c2)C1.
What is the InChIKey of 3-[4-(2-ethylpiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzonitrile?
The InChIKey is WMPPOLJZTSQAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-16-7-3-4-9-21(16)19(24)15-11-18(23)22(13-15)17-8-5-6-14(10-17)12-20/h5-6,8,10,15-16H,2-4,7,9,11,13H2,1H3.
What are the key properties of 3-[4-(2-ethylpiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzonitrile?
3-[4-(2-ethylpiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzonitrile has a molecular weight of 325.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-ethylpiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzonitrile is sourced from PubChem (CID 113191916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).