2-(4-propylpiperidine-1-carbonyl)butanenitrile

C13H22N2O — CID 62206665

IUPAC2-(4-propylpiperidine-1-carbonyl)butanenitrile
SMILESCCCC1CCN(C(=O)C(C#N)CC)CC1
InChIInChI=1S/C13H22N2O/c1-3-5-11-6-8-15(9-7-11)13(16)12(4-2)10-14/h11-12H,3-9H2,1-2H3
InChIKeyJGTAFMYOYUPIOP-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.57
Rot. Bonds4

About 2-(4-propylpiperidine-1-carbonyl)butanenitrile

2-(4-propylpiperidine-1-carbonyl)butanenitrile (PubChem CID 62206665) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(4-propylpiperidine-1-carbonyl)butanenitrile.

Molecular Properties

Compound Name2-(4-propylpiperidine-1-carbonyl)butanenitrile
PubChem CID62206665
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(4-propylpiperidine-1-carbonyl)butanenitrile
SMILESCCCC1CCN(C(=O)C(C#N)CC)CC1
InChIInChI=1S/C13H22N2O/c1-3-5-11-6-8-15(9-7-11)13(16)12(4-2)10-14/h11-12H,3-9H2,1-2H3
InChIKeyJGTAFMYOYUPIOP-UHFFFAOYSA-N
XLogP2.57
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(methoxymethyl)piperidine-1-carbonyl]butanenitrile
CID 63979968
3-oxo-3-(4-propylpiperidin-1-yl)propanenitrile
CID 62205964
2-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]butanenitrile
CID 62968650
2-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 166113429
2-(3-azaspiro[5.5]undecane-3-carbonyl)butanenitrile
CID 62930586
(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one
CID 113304805
2-hydroxy-1-(4-propylpiperidin-1-yl)ethanone
CID 143775534
ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone
CID 166152008
2-amino-1-(3-propylpyrrolidin-1-yl)butan-1-one
CID 115734204
ethyl 4-(2-cyanopentanoyl)piperazine-1-carboxylate
CID 107876931
3-amino-4-oxo-4-(4-propylazepan-1-yl)butanoic acid
CID 64895189
ethane;methyl 4-propylpiperidine-1-carboxylate
CID 145047424

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylpiperidine-1-carbonyl)butanenitrile?
The IUPAC name of 2-(4-propylpiperidine-1-carbonyl)butanenitrile (CID 62206665) is 2-(4-propylpiperidine-1-carbonyl)butanenitrile.
What is the SMILES notation for 2-(4-propylpiperidine-1-carbonyl)butanenitrile?
The canonical SMILES for 2-(4-propylpiperidine-1-carbonyl)butanenitrile is CCCC1CCN(C(=O)C(C#N)CC)CC1.
What is the InChIKey of 2-(4-propylpiperidine-1-carbonyl)butanenitrile?
The InChIKey is JGTAFMYOYUPIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-5-11-6-8-15(9-7-11)13(16)12(4-2)10-14/h11-12H,3-9H2,1-2H3.
What are the key properties of 2-(4-propylpiperidine-1-carbonyl)butanenitrile?
2-(4-propylpiperidine-1-carbonyl)butanenitrile has a molecular weight of 222.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylpiperidine-1-carbonyl)butanenitrile is sourced from PubChem (CID 62206665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).