(2R)-2-(4-acetylpiperazin-1-yl)-N-(1-cyanocyclohexyl)propanamide

C16H26N4O2 — CID 27135680

IUPAC(2R)-2-(4-acetylpiperazin-1-yl)-N-(1-cyanocyclohexyl)propanamide
SMILESCC(=O)N1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1
InChIInChI=1S/C16H26N4O2/c1-13(19-8-10-20(11-9-19)14(2)21)15(22)18-16(12-17)6-4-3-5-7-16/h13H,3-11H2,1-2H3,(H,18,22)/t13-/m1/s1
InChIKeyINPQQRINYJDBMK-CYBMUJFWSA-N
MW306.41 g/mol
LogP0.88
Rot. Bonds3

About (2R)-2-(4-acetylpiperazin-1-yl)-N-(1-cyanocyclohexyl)propanamide

(2R)-2-(4-acetylpiperazin-1-yl)-N-(1-cyanocyclohexyl)propanamide (PubChem CID 27135680) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2R)-2-(4-acetylpiperazin-1-yl)-N-(1-cyanocyclohexyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-acetylpiperazin-1-yl)-N-(1-cyanocyclohexyl)propanamide
PubChem CID27135680
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(2R)-2-(4-acetylpiperazin-1-yl)-N-(1-cyanocyclohexyl)propanamide
SMILESCC(=O)N1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1
InChIInChI=1S/C16H26N4O2/c1-13(19-8-10-20(11-9-19)14(2)21)15(22)18-16(12-17)6-4-3-5-7-16/h13H,3-11H2,1-2H3,(H,18,22)/t13-/m1/s1
InChIKeyINPQQRINYJDBMK-CYBMUJFWSA-N
XLogP0.88
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(4-acetylpiperazin-1-yl)-N-(1-cyanocyclohexyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-acetylpiperazin-1-yl)-N-(1-cyanocyclohexyl)propanamide?
The IUPAC name of (2R)-2-(4-acetylpiperazin-1-yl)-N-(1-cyanocyclohexyl)propanamide (CID 27135680) is (2R)-2-(4-acetylpiperazin-1-yl)-N-(1-cyanocyclohexyl)propanamide.
What is the SMILES notation for (2R)-2-(4-acetylpiperazin-1-yl)-N-(1-cyanocyclohexyl)propanamide?
The canonical SMILES for (2R)-2-(4-acetylpiperazin-1-yl)-N-(1-cyanocyclohexyl)propanamide is CC(=O)N1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1.
What is the InChIKey of (2R)-2-(4-acetylpiperazin-1-yl)-N-(1-cyanocyclohexyl)propanamide?
The InChIKey is INPQQRINYJDBMK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-13(19-8-10-20(11-9-19)14(2)21)15(22)18-16(12-17)6-4-3-5-7-16/h13H,3-11H2,1-2H3,(H,18,22)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-acetylpiperazin-1-yl)-N-(1-cyanocyclohexyl)propanamide?
(2R)-2-(4-acetylpiperazin-1-yl)-N-(1-cyanocyclohexyl)propanamide has a molecular weight of 306.41 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-acetylpiperazin-1-yl)-N-(1-cyanocyclohexyl)propanamide is sourced from PubChem (CID 27135680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).