N-(1-cyanocyclohexyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide

C18H30N4O2 — CID 18171025

IUPACN-(1-cyanocyclohexyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
SMILESCC(C)C(=O)N1CCN(C(C)C(=O)NC2(C#N)CCCCC2)CC1
InChIInChI=1S/C18H30N4O2/c1-14(2)17(24)22-11-9-21(10-12-22)15(3)16(23)20-18(13-19)7-5-4-6-8-18/h14-15H,4-12H2,1-3H3,(H,20,23)
InChIKeyLPQLEYOGUAEQGN-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.52
Rot. Bonds4

About N-(1-cyanocyclohexyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide

N-(1-cyanocyclohexyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide (PubChem CID 18171025) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
PubChem CID18171025
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-(1-cyanocyclohexyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
SMILESCC(C)C(=O)N1CCN(C(C)C(=O)NC2(C#N)CCCCC2)CC1
InChIInChI=1S/C18H30N4O2/c1-14(2)17(24)22-11-9-21(10-12-22)15(3)16(23)20-18(13-19)7-5-4-6-8-18/h14-15H,4-12H2,1-3H3,(H,20,23)
InChIKeyLPQLEYOGUAEQGN-UHFFFAOYSA-N
XLogP1.52
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-cyanocyclohexyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]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 N-(1-cyanocyclohexyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide (CID 18171025) is N-(1-cyanocyclohexyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide is CC(C)C(=O)N1CCN(C(C)C(=O)NC2(C#N)CCCCC2)CC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
The InChIKey is LPQLEYOGUAEQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14(2)17(24)22-11-9-21(10-12-22)15(3)16(23)20-18(13-19)7-5-4-6-8-18/h14-15H,4-12H2,1-3H3,(H,20,23).
What are the key properties of N-(1-cyanocyclohexyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
N-(1-cyanocyclohexyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide has a molecular weight of 334.46 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 18171025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).