3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide

C16H20N4O2 — CID 28793141

IUPAC3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide
SMILESCC(=O)N1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H20N4O2/c1-13(21)20-10-8-19(9-11-20)7-6-16(22)18-15-4-2-14(12-17)3-5-15/h2-5H,6-11H2,1H3,(H,18,22)
InChIKeyVBDRIPRUMHEAMI-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.05
Rot. Bonds4

About 3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide

3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide (PubChem CID 28793141) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide
PubChem CID28793141
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide
SMILESCC(=O)N1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H20N4O2/c1-13(21)20-10-8-19(9-11-20)7-6-16(22)18-15-4-2-14(12-17)3-5-15/h2-5H,6-11H2,1H3,(H,18,22)
InChIKeyVBDRIPRUMHEAMI-UHFFFAOYSA-N
XLogP1.05
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[3-(4-cyanoanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 33406443
3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 28801310
3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide
CID 109018341
ethyl 2-[4-[3-(4-cyanoanilino)-3-oxopropyl]piperazin-1-yl]acetate
CID 22599623
N-(4-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 37376304
N-(4-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43243966
N-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 30400948
N-(4-cyanophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62058920
N-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43246129
N-(4-cyanophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 33473460
N-(4-cyanophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962066
3-(4-acetylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 8904188

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide (CID 28793141) is 3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide is CC(=O)N1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide?
The InChIKey is VBDRIPRUMHEAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-13(21)20-10-8-19(9-11-20)7-6-16(22)18-15-4-2-14(12-17)3-5-15/h2-5H,6-11H2,1H3,(H,18,22).
What are the key properties of 3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide?
3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide has a molecular weight of 300.36 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 28793141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).