2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-cyanophenyl)acetamide

C16H22N4O — CID 114961132

IUPAC2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-cyanophenyl)acetamide
SMILESCC1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1CN
InChIInChI=1S/C16H22N4O/c1-12-6-7-20(10-14(12)9-18)11-16(21)19-15-4-2-13(8-17)3-5-15/h2-5,12,14H,6-7,9-11,18H2,1H3,(H,19,21)
InChIKeySLWSHQZYGIVVTK-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.41
Rot. Bonds4

About 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-cyanophenyl)acetamide

2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-cyanophenyl)acetamide (PubChem CID 114961132) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-cyanophenyl)acetamide
PubChem CID114961132
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-cyanophenyl)acetamide
SMILESCC1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1CN
InChIInChI=1S/C16H22N4O/c1-12-6-7-20(10-14(12)9-18)11-16(21)19-15-4-2-13(8-17)3-5-15/h2-5,12,14H,6-7,9-11,18H2,1H3,(H,19,21)
InChIKeySLWSHQZYGIVVTK-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide
CID 115873454
N-(4-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
CID 112698282
N-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide
CID 103533438
N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 60642377
3-(4-amino-3-methylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 79874391
N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106669426
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(4-cyanophenyl)acetamide
CID 79927603
N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43430359
N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246133
N-(4-cyanophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248740
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 114961186
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 114876510

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-cyanophenyl)acetamide (CID 114961132) is 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-cyanophenyl)acetamide is CC1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1CN.
What is the InChIKey of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-cyanophenyl)acetamide?
The InChIKey is SLWSHQZYGIVVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-6-7-20(10-14(12)9-18)11-16(21)19-15-4-2-13(8-17)3-5-15/h2-5,12,14H,6-7,9-11,18H2,1H3,(H,19,21).
What are the key properties of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-cyanophenyl)acetamide?
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-cyanophenyl)acetamide has a molecular weight of 286.38 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 114961132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).