4-[2-[(4R)-2,5-dioxo-4-piperidin-4-yl-4-propylimidazolidin-1-yl]ethyl]benzonitrile

C20H26N4O2 — CID 95223916

IUPAC4-[2-[(4R)-2,5-dioxo-4-piperidin-4-yl-4-propylimidazolidin-1-yl]ethyl]benzonitrile
SMILESCCC[C@]1(C2CCNCC2)NC(=O)N(CCc2ccc(C#N)cc2)C1=O
InChIInChI=1S/C20H26N4O2/c1-2-10-20(17-7-11-22-12-8-17)18(25)24(19(26)23-20)13-9-15-3-5-16(14-21)6-4-15/h3-6,17,22H,2,7-13H2,1H3,(H,23,26)/t20-/m1/s1
InChIKeyWLPYENSMUCUABO-HXUWFJFHSA-N
MW354.45 g/mol
LogP2.19
Rot. Bonds6

About 4-[2-[(4R)-2,5-dioxo-4-piperidin-4-yl-4-propylimidazolidin-1-yl]ethyl]benzonitrile

4-[2-[(4R)-2,5-dioxo-4-piperidin-4-yl-4-propylimidazolidin-1-yl]ethyl]benzonitrile (PubChem CID 95223916) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-[2-[(4R)-2,5-dioxo-4-piperidin-4-yl-4-propylimidazolidin-1-yl]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[(4R)-2,5-dioxo-4-piperidin-4-yl-4-propylimidazolidin-1-yl]ethyl]benzonitrile
PubChem CID95223916
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name4-[2-[(4R)-2,5-dioxo-4-piperidin-4-yl-4-propylimidazolidin-1-yl]ethyl]benzonitrile
SMILESCCC[C@]1(C2CCNCC2)NC(=O)N(CCc2ccc(C#N)cc2)C1=O
InChIInChI=1S/C20H26N4O2/c1-2-10-20(17-7-11-22-12-8-17)18(25)24(19(26)23-20)13-9-15-3-5-16(14-21)6-4-15/h3-6,17,22H,2,7-13H2,1H3,(H,23,26)/t20-/m1/s1
InChIKeyWLPYENSMUCUABO-HXUWFJFHSA-N
XLogP2.19
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-3-(4-fluorobutyl)-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
CID 95219594
(5S)-3-(2-fluoroethyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95216752
(5R)-3-(2-fluoroethyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95216753
(5R)-3-[2-(2-ethylimidazol-1-yl)ethyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
CID 95206967
(5R)-3-(3-hydroxypropyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95202564
3-but-2-ynyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 118760432
3-(cyclopropylmethyl)-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56720812
(5R)-3-[(2-fluoro-5-methylphenyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
CID 95219274
5-(3-phenylpropyl)-5-piperidin-4-yl-3-(2-pyrazol-1-ylethyl)imidazolidine-2,4-dione;hydrochloride
CID 154885329
3-[(4-methoxy-2-pyridinyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
CID 56713349
5-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 56714637
(5R)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
CID 95204092

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4R)-2,5-dioxo-4-piperidin-4-yl-4-propylimidazolidin-1-yl]ethyl]benzonitrile?
The IUPAC name of 4-[2-[(4R)-2,5-dioxo-4-piperidin-4-yl-4-propylimidazolidin-1-yl]ethyl]benzonitrile (CID 95223916) is 4-[2-[(4R)-2,5-dioxo-4-piperidin-4-yl-4-propylimidazolidin-1-yl]ethyl]benzonitrile.
What is the SMILES notation for 4-[2-[(4R)-2,5-dioxo-4-piperidin-4-yl-4-propylimidazolidin-1-yl]ethyl]benzonitrile?
The canonical SMILES for 4-[2-[(4R)-2,5-dioxo-4-piperidin-4-yl-4-propylimidazolidin-1-yl]ethyl]benzonitrile is CCC[C@]1(C2CCNCC2)NC(=O)N(CCc2ccc(C#N)cc2)C1=O.
What is the InChIKey of 4-[2-[(4R)-2,5-dioxo-4-piperidin-4-yl-4-propylimidazolidin-1-yl]ethyl]benzonitrile?
The InChIKey is WLPYENSMUCUABO-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-2-10-20(17-7-11-22-12-8-17)18(25)24(19(26)23-20)13-9-15-3-5-16(14-21)6-4-15/h3-6,17,22H,2,7-13H2,1H3,(H,23,26)/t20-/m1/s1.
What are the key properties of 4-[2-[(4R)-2,5-dioxo-4-piperidin-4-yl-4-propylimidazolidin-1-yl]ethyl]benzonitrile?
4-[2-[(4R)-2,5-dioxo-4-piperidin-4-yl-4-propylimidazolidin-1-yl]ethyl]benzonitrile has a molecular weight of 354.45 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4R)-2,5-dioxo-4-piperidin-4-yl-4-propylimidazolidin-1-yl]ethyl]benzonitrile is sourced from PubChem (CID 95223916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).