1-(1-acetylpiperidin-4-yl)cyclopropane-1-carbonitrile

C11H16N2O — CID 126758785

IUPAC1-(1-acetylpiperidin-4-yl)cyclopropane-1-carbonitrile
SMILESCC(=O)N1CCC(C2(C#N)CC2)CC1
InChIInChI=1S/C11H16N2O/c1-9(14)13-6-2-10(3-7-13)11(8-12)4-5-11/h10H,2-7H2,1H3
InChIKeyUMKAHLUPOSIMSY-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.55
Rot. Bonds1

About 1-(1-acetylpiperidin-4-yl)cyclopropane-1-carbonitrile

1-(1-acetylpiperidin-4-yl)cyclopropane-1-carbonitrile (PubChem CID 126758785) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)cyclopropane-1-carbonitrile
PubChem CID126758785
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(1-acetylpiperidin-4-yl)cyclopropane-1-carbonitrile
SMILESCC(=O)N1CCC(C2(C#N)CC2)CC1
InChIInChI=1S/C11H16N2O/c1-9(14)13-6-2-10(3-7-13)11(8-12)4-5-11/h10H,2-7H2,1H3
InChIKeyUMKAHLUPOSIMSY-UHFFFAOYSA-N
XLogP1.55
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methylpiperidin-4-yl)cyclopropane-1-carbonitrile
CID 116836897
1-(1-acetylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 68593661
(1-acetylpiperidin-4-yl) thiocyanate
CID 143288798
4-(4-acetylpiperazin-1-yl)-1-aminocyclohexane-1-carbonitrile
CID 117038162
1-acetyl-3-fluoropyrrolidine-3-carbonitrile
CID 126758837
1-acetylazepane-4-carbonitrile
CID 143511927
1-(4,5-dimethylazepan-1-yl)ethanone
CID 139460502
methyl 1-acetyl-4-cyanopiperidine-4-carboxylate
CID 23447453
1-acetyl-3-cyanopyrrolidine-3-carboxylic acid
CID 130812774
1-(4-sulfanylpiperidin-1-yl)ethanone
CID 91167607
1-(4-bromopiperidin-1-yl)ethanone
CID 22894003
1-cyclopentylcyclopentane-1-carbonitrile
CID 130513545

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)cyclopropane-1-carbonitrile (CID 126758785) is 1-(1-acetylpiperidin-4-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)cyclopropane-1-carbonitrile is CC(=O)N1CCC(C2(C#N)CC2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)cyclopropane-1-carbonitrile?
The InChIKey is UMKAHLUPOSIMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9(14)13-6-2-10(3-7-13)11(8-12)4-5-11/h10H,2-7H2,1H3.
What are the key properties of 1-(1-acetylpiperidin-4-yl)cyclopropane-1-carbonitrile?
1-(1-acetylpiperidin-4-yl)cyclopropane-1-carbonitrile has a molecular weight of 192.26 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 126758785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).