4-methyl-N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclohexane-1-carboxamide

C23H36N4O2 — CID 5309530

IUPAC4-methyl-N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)CC(NC(=O)C1CCC(C)CC1)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H36N4O2/c1-17(2)16-20(25-22(28)19-9-7-18(3)8-10-19)23(29)27-14-12-26(13-15-27)21-6-4-5-11-24-21/h4-6,11,17-20H,7-10,12-16H2,1-3H3,(H,25,28)
InChIKeyORMNUNLPLQXJAO-UHFFFAOYSA-N
MW400.57 g/mol
LogP3.09
Rot. Bonds6

About 4-methyl-N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclohexane-1-carboxamide

4-methyl-N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclohexane-1-carboxamide (PubChem CID 5309530) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 4-methyl-N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclohexane-1-carboxamide
PubChem CID5309530
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name4-methyl-N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)CC(NC(=O)C1CCC(C)CC1)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H36N4O2/c1-17(2)16-20(25-22(28)19-9-7-18(3)8-10-19)23(29)27-14-12-26(13-15-27)21-6-4-5-11-24-21/h4-6,11,17-20H,7-10,12-16H2,1-3H3,(H,25,28)
InChIKeyORMNUNLPLQXJAO-UHFFFAOYSA-N
XLogP3.09
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclohexane-1-carboxamide 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 4-methyl-N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclohexane-1-carboxamide (CID 5309530) is 4-methyl-N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclohexane-1-carboxamide is CC(C)CC(NC(=O)C1CCC(C)CC1)C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 4-methyl-N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is ORMNUNLPLQXJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-17(2)16-20(25-22(28)19-9-7-18(3)8-10-19)23(29)27-14-12-26(13-15-27)21-6-4-5-11-24-21/h4-6,11,17-20H,7-10,12-16H2,1-3H3,(H,25,28).
What are the key properties of 4-methyl-N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclohexane-1-carboxamide?
4-methyl-N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 400.57 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 5309530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).