1-[1-(4-methylpentanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C23H36N4O2 — CID 24790745

IUPAC1-[1-(4-methylpentanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCC(C)CCC(=O)N1CCC(N2CCC(C(=O)NCc3ccccn3)CC2)CC1
InChIInChI=1S/C23H36N4O2/c1-18(2)6-7-22(28)27-15-10-21(11-16-27)26-13-8-19(9-14-26)23(29)25-17-20-5-3-4-12-24-20/h3-5,12,18-19,21H,6-11,13-17H2,1-2H3,(H,25,29)
InChIKeyWNOPYPLSTLAOLE-UHFFFAOYSA-N
MW400.57 g/mol
LogP2.84
Rot. Bonds7

About 1-[1-(4-methylpentanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-[1-(4-methylpentanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 24790745) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 1-[1-(4-methylpentanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-methylpentanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID24790745
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name1-[1-(4-methylpentanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCC(C)CCC(=O)N1CCC(N2CCC(C(=O)NCc3ccccn3)CC2)CC1
InChIInChI=1S/C23H36N4O2/c1-18(2)6-7-22(28)27-15-10-21(11-16-27)26-13-8-19(9-14-26)23(29)25-17-20-5-3-4-12-24-20/h3-5,12,18-19,21H,6-11,13-17H2,1-2H3,(H,25,29)
InChIKeyWNOPYPLSTLAOLE-UHFFFAOYSA-N
XLogP2.84
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(4-methylpentanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-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 1-[1-(4-methylpentanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-methylpentanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 24790745) is 1-[1-(4-methylpentanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-methylpentanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-methylpentanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is CC(C)CCC(=O)N1CCC(N2CCC(C(=O)NCc3ccccn3)CC2)CC1.
What is the InChIKey of 1-[1-(4-methylpentanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is WNOPYPLSTLAOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-18(2)6-7-22(28)27-15-10-21(11-16-27)26-13-8-19(9-14-26)23(29)25-17-20-5-3-4-12-24-20/h3-5,12,18-19,21H,6-11,13-17H2,1-2H3,(H,25,29).
What are the key properties of 1-[1-(4-methylpentanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-[1-(4-methylpentanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 400.57 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylpentanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 24790745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).