2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide

C16H22N4O — CID 63596583

IUPAC2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide
SMILESCC(N)C1CCN(CC(=O)Nc2ccccc2C#N)CC1
InChIInChI=1S/C16H22N4O/c1-12(18)13-6-8-20(9-7-13)11-16(21)19-15-5-3-2-4-14(15)10-17/h2-5,12-13H,6-9,11,18H2,1H3,(H,19,21)
InChIKeyLAJUOYPTYSSYMG-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.56
Rot. Bonds4

About 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide

2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide (PubChem CID 63596583) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide
PubChem CID63596583
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide
SMILESCC(N)C1CCN(CC(=O)Nc2ccccc2C#N)CC1
InChIInChI=1S/C16H22N4O/c1-12(18)13-6-8-20(9-7-13)11-16(21)19-15-5-3-2-4-14(15)10-17/h2-5,12-13H,6-9,11,18H2,1H3,(H,19,21)
InChIKeyLAJUOYPTYSSYMG-UHFFFAOYSA-N
XLogP1.56
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide
CID 63597290
1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 799678
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride
CID 119920938
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-chlorophenyl)acetamide;hydrochloride
CID 119920864
N-(2-cyanophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 1439590
methyl 1-[2-(2-cyanoanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731411
N-(2-cyanophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63281967
N-[2-[4-(1-aminoethyl)piperidin-1-yl]acetyl]benzamide
CID 63596753
N-(2-cyanophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930267
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 119920937
2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide
CID 2653850
N-(2-cyanophenyl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55482155

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide (CID 63596583) is 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide is CC(N)C1CCN(CC(=O)Nc2ccccc2C#N)CC1.
What is the InChIKey of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide?
The InChIKey is LAJUOYPTYSSYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(18)13-6-8-20(9-7-13)11-16(21)19-15-5-3-2-4-14(15)10-17/h2-5,12-13H,6-9,11,18H2,1H3,(H,19,21).
What are the key properties of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide?
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide has a molecular weight of 286.38 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 63596583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).