2-[4-(2-cyanoanilino)piperidin-1-yl]-N,N-dimethylacetamide

C16H22N4O — CID 43762358

IUPAC2-[4-(2-cyanoanilino)piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(Nc2ccccc2C#N)CC1
InChIInChI=1S/C16H22N4O/c1-19(2)16(21)12-20-9-7-14(8-10-20)18-15-6-4-3-5-13(15)11-17/h3-6,14,18H,7-10,12H2,1-2H3
InChIKeyVOSGFEVIXAQION-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.52
Rot. Bonds4

About 2-[4-(2-cyanoanilino)piperidin-1-yl]-N,N-dimethylacetamide

2-[4-(2-cyanoanilino)piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 43762358) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[4-(2-cyanoanilino)piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(2-cyanoanilino)piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID43762358
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[4-(2-cyanoanilino)piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(Nc2ccccc2C#N)CC1
InChIInChI=1S/C16H22N4O/c1-19(2)16(21)12-20-9-7-14(8-10-20)18-15-6-4-3-5-13(15)11-17/h3-6,14,18H,7-10,12H2,1-2H3
InChIKeyVOSGFEVIXAQION-UHFFFAOYSA-N
XLogP1.52
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,3-dimethylanilino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43765633
N,N-dimethyl-2-[4-[(2-methyl-3-pyridinyl)amino]piperidin-1-yl]acetamide
CID 79042062
2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzonitrile
CID 117027563
2-[4-(2-chloro-4-fluoroanilino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43773958
2-(cyclopentylamino)benzonitrile
CID 10535560
2-[4-(2-chloro-6-methylanilino)piperidin-1-yl]-N,N-dimethylacetamide
CID 66251667
2-[4-[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 133296827
N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 144655106
2-[4-(4-bromo-2-cyanoanilino)piperidin-1-yl]acetamide
CID 75454004
1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 799678
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide
CID 63596583
methyl 1-[2-(2-cyanoanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731411

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyanoanilino)piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(2-cyanoanilino)piperidin-1-yl]-N,N-dimethylacetamide (CID 43762358) is 2-[4-(2-cyanoanilino)piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(2-cyanoanilino)piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(2-cyanoanilino)piperidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCC(Nc2ccccc2C#N)CC1.
What is the InChIKey of 2-[4-(2-cyanoanilino)piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is VOSGFEVIXAQION-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19(2)16(21)12-20-9-7-14(8-10-20)18-15-6-4-3-5-13(15)11-17/h3-6,14,18H,7-10,12H2,1-2H3.
What are the key properties of 2-[4-(2-cyanoanilino)piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-(2-cyanoanilino)piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 286.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyanoanilino)piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 43762358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).