3-[1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]benzonitrile

C19H23N3O2 — CID 72883184

IUPAC3-[1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]benzonitrile
SMILESCCN1CC(C(=O)N2CCC(c3cccc(C#N)c3)CC2)CC1=O
InChIInChI=1S/C19H23N3O2/c1-2-21-13-17(11-18(21)23)19(24)22-8-6-15(7-9-22)16-5-3-4-14(10-16)12-20/h3-5,10,15,17H,2,6-9,11,13H2,1H3
InChIKeyFBZZXJOVWGXISD-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.13
Rot. Bonds3

About 3-[1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]benzonitrile

3-[1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]benzonitrile (PubChem CID 72883184) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]benzonitrile.

Molecular Properties

Compound Name3-[1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]benzonitrile
PubChem CID72883184
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]benzonitrile
SMILESCCN1CC(C(=O)N2CCC(c3cccc(C#N)c3)CC2)CC1=O
InChIInChI=1S/C19H23N3O2/c1-2-21-13-17(11-18(21)23)19(24)22-8-6-15(7-9-22)16-5-3-4-14(10-16)12-20/h3-5,10,15,17H,2,6-9,11,13H2,1H3
InChIKeyFBZZXJOVWGXISD-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(3-hydroxyphenyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95128434
(4R)-1-ethyl-4-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 94093428
(4R)-4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one
CID 31831854
(4S)-4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one
CID 95866539
(4S)-4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one
CID 97141344
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-ethylpyrrolidin-2-one;hydrochloride
CID 120746956
4-(4-phenylpiperidine-1-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 143724939
6-[1-(piperidine-4-carbonyl)piperidin-4-yl]naphthalene-2-carbonitrile
CID 118639649
(7S)-1-[(3S)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-7-phenyl-1,4-diazepan-5-one
CID 94674997
3-[4-(2-ethylpiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzonitrile
CID 113191916
(4S)-4-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]-1-ethylpyrrolidin-2-one
CID 97189532
4-[4-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 94114936

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]benzonitrile?
The IUPAC name of 3-[1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]benzonitrile (CID 72883184) is 3-[1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]benzonitrile.
What is the SMILES notation for 3-[1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]benzonitrile?
The canonical SMILES for 3-[1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]benzonitrile is CCN1CC(C(=O)N2CCC(c3cccc(C#N)c3)CC2)CC1=O.
What is the InChIKey of 3-[1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]benzonitrile?
The InChIKey is FBZZXJOVWGXISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-21-13-17(11-18(21)23)19(24)22-8-6-15(7-9-22)16-5-3-4-14(10-16)12-20/h3-5,10,15,17H,2,6-9,11,13H2,1H3.
What are the key properties of 3-[1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]benzonitrile?
3-[1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]benzonitrile has a molecular weight of 325.41 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]benzonitrile is sourced from PubChem (CID 72883184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).