1-acetylpiperidine-3-carbonitrile;ethane

C10H18N2O — CID 145255147

IUPAC1-acetylpiperidine-3-carbonitrile;ethane
SMILESCC.CC(=O)N1CCCC(C#N)C1
InChIInChI=1S/C8H12N2O.C2H6/c1-7(11)10-4-2-3-8(5-9)6-10;1-2/h8H,2-4,6H2,1H3;1-2H3
InChIKeyKRJMAXLDXSFNCA-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.79
Rot. Bonds

About 1-acetylpiperidine-3-carbonitrile;ethane

1-acetylpiperidine-3-carbonitrile;ethane (PubChem CID 145255147) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-acetylpiperidine-3-carbonitrile;ethane.

Molecular Properties

Compound Name1-acetylpiperidine-3-carbonitrile;ethane
PubChem CID145255147
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-acetylpiperidine-3-carbonitrile;ethane
SMILESCC.CC(=O)N1CCCC(C#N)C1
InChIInChI=1S/C8H12N2O.C2H6/c1-7(11)10-4-2-3-8(5-9)6-10;1-2/h8H,2-4,6H2,1H3;1-2H3
InChIKeyKRJMAXLDXSFNCA-UHFFFAOYSA-N
XLogP1.79
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetylazepane-4-carbonitrile
CID 143511927
1-(cyclooctanecarbonyl)piperidine-3-carbonitrile
CID 65018910
propan-2-yl (3R)-3-cyanopiperidine-1-carboxylate
CID 130806171
ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282
ethane;1-(3-methylpiperidin-1-yl)ethanone
CID 91356589
1-(3-methylpentanoyl)piperidine-3-carbonitrile
CID 114874755
4-[(3S)-3-cyanopiperidin-1-yl]-2,2-dimethyl-4-oxobutanamide
CID 71236309
1-(3-cyclopentylpiperidin-1-yl)ethanone
CID 91592675
(3S)-1-acetylpiperidine-3-carboxylate
CID 7131083
ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone
CID 142926583
1-acetylpiperidine-3-carboxylic acid;ethane
CID 143204854
(3S)-3-cyanopyrrolidine-1-carboxylic acid
CID 69136165

Frequently Asked Questions

What is the IUPAC name of 1-acetylpiperidine-3-carbonitrile;ethane?
The IUPAC name of 1-acetylpiperidine-3-carbonitrile;ethane (CID 145255147) is 1-acetylpiperidine-3-carbonitrile;ethane.
What is the SMILES notation for 1-acetylpiperidine-3-carbonitrile;ethane?
The canonical SMILES for 1-acetylpiperidine-3-carbonitrile;ethane is CC.CC(=O)N1CCCC(C#N)C1.
What is the InChIKey of 1-acetylpiperidine-3-carbonitrile;ethane?
The InChIKey is KRJMAXLDXSFNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.C2H6/c1-7(11)10-4-2-3-8(5-9)6-10;1-2/h8H,2-4,6H2,1H3;1-2H3.
What are the key properties of 1-acetylpiperidine-3-carbonitrile;ethane?
1-acetylpiperidine-3-carbonitrile;ethane has a molecular weight of 182.27 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetylpiperidine-3-carbonitrile;ethane is sourced from PubChem (CID 145255147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).