4-[2-(3-amino-2-oxopyrrolidin-1-yl)-3-oxo-3-piperidin-1-ylpropyl]benzonitrile

C19H24N4O2 — CID 18989342

IUPAC4-[2-(3-amino-2-oxopyrrolidin-1-yl)-3-oxo-3-piperidin-1-ylpropyl]benzonitrile
SMILESN#Cc1ccc(CC(C(=O)N2CCCCC2)N2CCC(N)C2=O)cc1
InChIInChI=1S/C19H24N4O2/c20-13-15-6-4-14(5-7-15)12-17(23-11-8-16(21)18(23)24)19(25)22-9-2-1-3-10-22/h4-7,16-17H,1-3,8-12,21H2
InChIKeyTVBNRBIFYYJSTI-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.04
Rot. Bonds4

About 4-[2-(3-amino-2-oxopyrrolidin-1-yl)-3-oxo-3-piperidin-1-ylpropyl]benzonitrile

4-[2-(3-amino-2-oxopyrrolidin-1-yl)-3-oxo-3-piperidin-1-ylpropyl]benzonitrile (PubChem CID 18989342) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[2-(3-amino-2-oxopyrrolidin-1-yl)-3-oxo-3-piperidin-1-ylpropyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(3-amino-2-oxopyrrolidin-1-yl)-3-oxo-3-piperidin-1-ylpropyl]benzonitrile
PubChem CID18989342
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-[2-(3-amino-2-oxopyrrolidin-1-yl)-3-oxo-3-piperidin-1-ylpropyl]benzonitrile
SMILESN#Cc1ccc(CC(C(=O)N2CCCCC2)N2CCC(N)C2=O)cc1
InChIInChI=1S/C19H24N4O2/c20-13-15-6-4-14(5-7-15)12-17(23-11-8-16(21)18(23)24)19(25)22-9-2-1-3-10-22/h4-7,16-17H,1-3,8-12,21H2
InChIKeyTVBNRBIFYYJSTI-UHFFFAOYSA-N
XLogP1.04
TPSA90.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-3-oxo-3-pyrrolidin-1-ylpropyl)benzonitrile;hydrochloride
CID 19703184
4-[(3-amino-2-oxopiperidin-1-yl)methyl]benzonitrile
CID 11195559
(2R)-2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-benzyl-3-phenylpropanamide
CID 59757318
1-[(4-cyanophenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 62269126
4-[(2S)-2-(methylamino)-3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzonitrile
CID 18642332
4-[[1-(2-aminoacetyl)piperidin-3-yl]sulfanylmethyl]benzonitrile
CID 84755257
(3R)-3-amino-N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-phenylpropanamide
CID 57226964
4-[[4-(2-methylsulfanylpropanoyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 56812769
4-[(2R)-2-amino-3-pyrrolidin-1-ylpropyl]benzonitrile
CID 129196836
2-[(4-methylphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 82117724
(1R,2R,6S,7R)-4-[(2R)-1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98137697
4-(azepane-1-carbonyl)benzonitrile
CID 7964092

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-amino-2-oxopyrrolidin-1-yl)-3-oxo-3-piperidin-1-ylpropyl]benzonitrile?
The IUPAC name of 4-[2-(3-amino-2-oxopyrrolidin-1-yl)-3-oxo-3-piperidin-1-ylpropyl]benzonitrile (CID 18989342) is 4-[2-(3-amino-2-oxopyrrolidin-1-yl)-3-oxo-3-piperidin-1-ylpropyl]benzonitrile.
What is the SMILES notation for 4-[2-(3-amino-2-oxopyrrolidin-1-yl)-3-oxo-3-piperidin-1-ylpropyl]benzonitrile?
The canonical SMILES for 4-[2-(3-amino-2-oxopyrrolidin-1-yl)-3-oxo-3-piperidin-1-ylpropyl]benzonitrile is N#Cc1ccc(CC(C(=O)N2CCCCC2)N2CCC(N)C2=O)cc1.
What is the InChIKey of 4-[2-(3-amino-2-oxopyrrolidin-1-yl)-3-oxo-3-piperidin-1-ylpropyl]benzonitrile?
The InChIKey is TVBNRBIFYYJSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c20-13-15-6-4-14(5-7-15)12-17(23-11-8-16(21)18(23)24)19(25)22-9-2-1-3-10-22/h4-7,16-17H,1-3,8-12,21H2.
What are the key properties of 4-[2-(3-amino-2-oxopyrrolidin-1-yl)-3-oxo-3-piperidin-1-ylpropyl]benzonitrile?
4-[2-(3-amino-2-oxopyrrolidin-1-yl)-3-oxo-3-piperidin-1-ylpropyl]benzonitrile has a molecular weight of 340.43 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-amino-2-oxopyrrolidin-1-yl)-3-oxo-3-piperidin-1-ylpropyl]benzonitrile is sourced from PubChem (CID 18989342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).