2-(4-cyanopiperidin-1-yl)-N-methyl-N-propan-2-ylacetamide

C12H21N3O — CID 48966293

IUPAC2-(4-cyanopiperidin-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CN1CCC(C#N)CC1
InChIInChI=1S/C12H21N3O/c1-10(2)14(3)12(16)9-15-6-4-11(8-13)5-7-15/h10-11H,4-7,9H2,1-3H3
InChIKeyNXOVWRNWGNGRBG-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.09
Rot. Bonds3

About 2-(4-cyanopiperidin-1-yl)-N-methyl-N-propan-2-ylacetamide

2-(4-cyanopiperidin-1-yl)-N-methyl-N-propan-2-ylacetamide (PubChem CID 48966293) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(4-cyanopiperidin-1-yl)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-cyanopiperidin-1-yl)-N-methyl-N-propan-2-ylacetamide
PubChem CID48966293
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(4-cyanopiperidin-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CN1CCC(C#N)CC1
InChIInChI=1S/C12H21N3O/c1-10(2)14(3)12(16)9-15-6-4-11(8-13)5-7-15/h10-11H,4-7,9H2,1-3H3
InChIKeyNXOVWRNWGNGRBG-UHFFFAOYSA-N
XLogP1.09
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 60669971
CID 59303846
CID 59303846
3-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]propanoic acid
CID 62215678
N-methyl-N-propan-2-yl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63848072
2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63852740
2-[(3R)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 97028839
2-(3-hydroxyazetidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 63282746
2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63848275
2-[2-(aminomethyl)morpholin-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 61337607
1-(2-methylpropyl)piperidine-4-carbonitrile
CID 39236120
2-[3-(2-aminoethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63763892
1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 87016849

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanopiperidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-cyanopiperidin-1-yl)-N-methyl-N-propan-2-ylacetamide (CID 48966293) is 2-(4-cyanopiperidin-1-yl)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-cyanopiperidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-cyanopiperidin-1-yl)-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CN1CCC(C#N)CC1.
What is the InChIKey of 2-(4-cyanopiperidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is NXOVWRNWGNGRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(2)14(3)12(16)9-15-6-4-11(8-13)5-7-15/h10-11H,4-7,9H2,1-3H3.
What are the key properties of 2-(4-cyanopiperidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
2-(4-cyanopiperidin-1-yl)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 223.32 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanopiperidin-1-yl)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 48966293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).