1-acetyl-4-[2-(dimethylamino)ethylamino]piperidine-4-carbonitrile

C12H22N4O — CID 28703069

IUPAC1-acetyl-4-[2-(dimethylamino)ethylamino]piperidine-4-carbonitrile
SMILESCC(=O)N1CCC(C#N)(NCCN(C)C)CC1
InChIInChI=1S/C12H22N4O/c1-11(17)16-7-4-12(10-13,5-8-16)14-6-9-15(2)3/h14H,4-9H2,1-3H3
InChIKeyPALUETKGGYAQOX-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.04
Rot. Bonds4

About 1-acetyl-4-[2-(dimethylamino)ethylamino]piperidine-4-carbonitrile

1-acetyl-4-[2-(dimethylamino)ethylamino]piperidine-4-carbonitrile (PubChem CID 28703069) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-acetyl-4-[2-(dimethylamino)ethylamino]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-acetyl-4-[2-(dimethylamino)ethylamino]piperidine-4-carbonitrile
PubChem CID28703069
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-acetyl-4-[2-(dimethylamino)ethylamino]piperidine-4-carbonitrile
SMILESCC(=O)N1CCC(C#N)(NCCN(C)C)CC1
InChIInChI=1S/C12H22N4O/c1-11(17)16-7-4-12(10-13,5-8-16)14-6-9-15(2)3/h14H,4-9H2,1-3H3
InChIKeyPALUETKGGYAQOX-UHFFFAOYSA-N
XLogP0.04
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-[2-(dimethylamino)ethylamino]piperidine-4-carbonitrile?
The IUPAC name of 1-acetyl-4-[2-(dimethylamino)ethylamino]piperidine-4-carbonitrile (CID 28703069) is 1-acetyl-4-[2-(dimethylamino)ethylamino]piperidine-4-carbonitrile.
What is the SMILES notation for 1-acetyl-4-[2-(dimethylamino)ethylamino]piperidine-4-carbonitrile?
The canonical SMILES for 1-acetyl-4-[2-(dimethylamino)ethylamino]piperidine-4-carbonitrile is CC(=O)N1CCC(C#N)(NCCN(C)C)CC1.
What is the InChIKey of 1-acetyl-4-[2-(dimethylamino)ethylamino]piperidine-4-carbonitrile?
The InChIKey is PALUETKGGYAQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-11(17)16-7-4-12(10-13,5-8-16)14-6-9-15(2)3/h14H,4-9H2,1-3H3.
What are the key properties of 1-acetyl-4-[2-(dimethylamino)ethylamino]piperidine-4-carbonitrile?
1-acetyl-4-[2-(dimethylamino)ethylamino]piperidine-4-carbonitrile has a molecular weight of 238.33 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-[2-(dimethylamino)ethylamino]piperidine-4-carbonitrile is sourced from PubChem (CID 28703069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).