3-oxo-3-(4-propylpiperidin-1-yl)propanenitrile

C11H18N2O — CID 62205964

IUPAC3-oxo-3-(4-propylpiperidin-1-yl)propanenitrile
SMILESCCCC1CCN(C(=O)CC#N)CC1
InChIInChI=1S/C11H18N2O/c1-2-3-10-5-8-13(9-6-10)11(14)4-7-12/h10H,2-6,8-9H2,1H3
InChIKeyHBXWKLDJDRZPTD-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.94
Rot. Bonds3

About 3-oxo-3-(4-propylpiperidin-1-yl)propanenitrile

3-oxo-3-(4-propylpiperidin-1-yl)propanenitrile (PubChem CID 62205964) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-oxo-3-(4-propylpiperidin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-oxo-3-(4-propylpiperidin-1-yl)propanenitrile
PubChem CID62205964
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-oxo-3-(4-propylpiperidin-1-yl)propanenitrile
SMILESCCCC1CCN(C(=O)CC#N)CC1
InChIInChI=1S/C11H18N2O/c1-2-3-10-5-8-13(9-6-10)11(14)4-7-12/h10H,2-6,8-9H2,1H3
InChIKeyHBXWKLDJDRZPTD-UHFFFAOYSA-N
XLogP1.94
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropanenitrile
CID 43133331
3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile
CID 58641605
2-hydroxy-1-(4-propylpiperidin-1-yl)ethanone
CID 143775534
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide
CID 108922132
3-(4-acetylpiperidin-1-yl)-3-oxopropanenitrile;ethane
CID 144882446
2-(4-propylpiperidine-1-carbonyl)butanenitrile
CID 62206665
3-(4-acetylpiperazin-1-yl)-3-oxopropanenitrile
CID 24696391
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-2-methylprop-2-enamide
CID 108922290
ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone
CID 166152008
3-(7-methyl-1,4-thiazepan-4-yl)-3-oxopropanenitrile
CID 130645008
(E)-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-3,4,4-trimethylpent-2-enamide
CID 108922316
ethane;3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile
CID 144865507

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-(4-propylpiperidin-1-yl)propanenitrile?
The IUPAC name of 3-oxo-3-(4-propylpiperidin-1-yl)propanenitrile (CID 62205964) is 3-oxo-3-(4-propylpiperidin-1-yl)propanenitrile.
What is the SMILES notation for 3-oxo-3-(4-propylpiperidin-1-yl)propanenitrile?
The canonical SMILES for 3-oxo-3-(4-propylpiperidin-1-yl)propanenitrile is CCCC1CCN(C(=O)CC#N)CC1.
What is the InChIKey of 3-oxo-3-(4-propylpiperidin-1-yl)propanenitrile?
The InChIKey is HBXWKLDJDRZPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-3-10-5-8-13(9-6-10)11(14)4-7-12/h10H,2-6,8-9H2,1H3.
What are the key properties of 3-oxo-3-(4-propylpiperidin-1-yl)propanenitrile?
3-oxo-3-(4-propylpiperidin-1-yl)propanenitrile has a molecular weight of 194.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-(4-propylpiperidin-1-yl)propanenitrile is sourced from PubChem (CID 62205964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).