3-(4-amino-3-methylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide

C16H22N4O — CID 79874391

IUPAC3-(4-amino-3-methylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
SMILESCC1CN(CCC(=O)Nc2ccc(C#N)cc2)CCC1N
InChIInChI=1S/C16H22N4O/c1-12-11-20(8-6-15(12)18)9-7-16(21)19-14-4-2-13(10-17)3-5-14/h2-5,12,15H,6-9,11,18H2,1H3,(H,19,21)
InChIKeyNMFLNHAVOWPIII-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.56
Rot. Bonds4

About 3-(4-amino-3-methylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide

3-(4-amino-3-methylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide (PubChem CID 79874391) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(4-amino-3-methylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(4-amino-3-methylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
PubChem CID79874391
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-(4-amino-3-methylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
SMILESCC1CN(CCC(=O)Nc2ccc(C#N)cc2)CCC1N
InChIInChI=1S/C16H22N4O/c1-12-11-20(8-6-15(12)18)9-7-16(21)19-14-4-2-13(10-17)3-5-14/h2-5,12,15H,6-9,11,18H2,1H3,(H,19,21)
InChIKeyNMFLNHAVOWPIII-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

N-(4-cyanophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962066
3-[(3R)-3-aminopiperidin-1-yl]-N-(4-cyanophenyl)propanamide
CID 102985639
3-(4-amino-3-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 79867752
N-(4-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43243966
N-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide
CID 115873454
N-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43246129
N-(4-cyanophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43421973
3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 28801310
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-cyanophenyl)acetamide
CID 114961132
3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide
CID 28793141
N-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882625
ethyl 4-[3-(4-cyanoanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 33406443

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-methylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide?
The IUPAC name of 3-(4-amino-3-methylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide (CID 79874391) is 3-(4-amino-3-methylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for 3-(4-amino-3-methylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide?
The canonical SMILES for 3-(4-amino-3-methylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide is CC1CN(CCC(=O)Nc2ccc(C#N)cc2)CCC1N.
What is the InChIKey of 3-(4-amino-3-methylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide?
The InChIKey is NMFLNHAVOWPIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-11-20(8-6-15(12)18)9-7-16(21)19-14-4-2-13(10-17)3-5-14/h2-5,12,15H,6-9,11,18H2,1H3,(H,19,21).
What are the key properties of 3-(4-amino-3-methylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide?
3-(4-amino-3-methylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide 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 3-(4-amino-3-methylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 79874391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).