2-(4-cyano-4-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide

C13H23N3O — CID 113363017

IUPAC2-(4-cyano-4-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1CCC(C)(C#N)CC1
InChIInChI=1S/C13H23N3O/c1-11(2)8-15-12(17)9-16-6-4-13(3,10-14)5-7-16/h11H,4-9H2,1-3H3,(H,15,17)
InChIKeyXRRAFPNLJPRDKT-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.38
Rot. Bonds4

About 2-(4-cyano-4-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide

2-(4-cyano-4-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide (PubChem CID 113363017) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(4-cyano-4-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-cyano-4-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide
PubChem CID113363017
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(4-cyano-4-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1CCC(C)(C#N)CC1
InChIInChI=1S/C13H23N3O/c1-11(2)8-15-12(17)9-16-6-4-13(3,10-14)5-7-16/h11H,4-9H2,1-3H3,(H,15,17)
InChIKeyXRRAFPNLJPRDKT-UHFFFAOYSA-N
XLogP1.38
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methylpropylamino)-2-oxoethyl]-4-propylpiperidine-4-carboxylic acid
CID 63126933
2-(4-cyano-4-methylpiperidin-1-yl)-N-pyrazin-2-ylacetamide
CID 131900844
N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30960234
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 43251325
2-(2,7-diazaspiro[4.4]nonan-2-yl)-N-(2-methylpropyl)acetamide
CID 113447206
2-[4-(5-aminopentyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 43253086
2-[3-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-(2-methylpropyl)acetamide
CID 82148746
N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 24534624
4-methyl-1-(4-methylpentyl)piperidine-4-carbonitrile
CID 102672948
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 78930704
2-[4-[2-(2,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 30737553
N-(2-methylpropyl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 78788315

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-4-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-cyano-4-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide (CID 113363017) is 2-(4-cyano-4-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-cyano-4-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-cyano-4-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN1CCC(C)(C#N)CC1.
What is the InChIKey of 2-(4-cyano-4-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is XRRAFPNLJPRDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(2)8-15-12(17)9-16-6-4-13(3,10-14)5-7-16/h11H,4-9H2,1-3H3,(H,15,17).
What are the key properties of 2-(4-cyano-4-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide?
2-(4-cyano-4-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 237.35 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-4-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 113363017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).