1-methyl-4-(2-oxopropyl)piperidine-2-carbonitrile

C10H16N2O — CID 15601065

IUPAC1-methyl-4-(2-oxopropyl)piperidine-2-carbonitrile
SMILESCC(=O)CC1CCN(C)C(C#N)C1
InChIInChI=1S/C10H16N2O/c1-8(13)5-9-3-4-12(2)10(6-9)7-11/h9-10H,3-6H2,1-2H3
InChIKeyYXTAMRZTBLUMAL-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.20
Rot. Bonds2

About 1-methyl-4-(2-oxopropyl)piperidine-2-carbonitrile

1-methyl-4-(2-oxopropyl)piperidine-2-carbonitrile (PubChem CID 15601065) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methyl-4-(2-oxopropyl)piperidine-2-carbonitrile.

Molecular Properties

Compound Name1-methyl-4-(2-oxopropyl)piperidine-2-carbonitrile
PubChem CID15601065
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-methyl-4-(2-oxopropyl)piperidine-2-carbonitrile
SMILESCC(=O)CC1CCN(C)C(C#N)C1
InChIInChI=1S/C10H16N2O/c1-8(13)5-9-3-4-12(2)10(6-9)7-11/h9-10H,3-6H2,1-2H3
InChIKeyYXTAMRZTBLUMAL-UHFFFAOYSA-N
XLogP1.20
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-oxopropyl)piperidine-2-carbonitrile?
The IUPAC name of 1-methyl-4-(2-oxopropyl)piperidine-2-carbonitrile (CID 15601065) is 1-methyl-4-(2-oxopropyl)piperidine-2-carbonitrile.
What is the SMILES notation for 1-methyl-4-(2-oxopropyl)piperidine-2-carbonitrile?
The canonical SMILES for 1-methyl-4-(2-oxopropyl)piperidine-2-carbonitrile is CC(=O)CC1CCN(C)C(C#N)C1.
What is the InChIKey of 1-methyl-4-(2-oxopropyl)piperidine-2-carbonitrile?
The InChIKey is YXTAMRZTBLUMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8(13)5-9-3-4-12(2)10(6-9)7-11/h9-10H,3-6H2,1-2H3.
What are the key properties of 1-methyl-4-(2-oxopropyl)piperidine-2-carbonitrile?
1-methyl-4-(2-oxopropyl)piperidine-2-carbonitrile has a molecular weight of 180.25 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-oxopropyl)piperidine-2-carbonitrile is sourced from PubChem (CID 15601065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).