(1-acetylpiperidin-4-yl)methyl 5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate

C20H29N3O3 — CID 155266452

IUPAC(1-acetylpiperidin-4-yl)methyl 5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate
SMILESCC(=O)N1CCC(COC(=O)c2ccc(N3CCC(C)CC3)cn2)CC1
InChIInChI=1S/C20H29N3O3/c1-15-5-9-23(10-6-15)18-3-4-19(21-13-18)20(25)26-14-17-7-11-22(12-8-17)16(2)24/h3-4,13,15,17H,5-12,14H2,1-2H3
InChIKeyFNIQGMIBKLURQF-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.73
Rot. Bonds4

About (1-acetylpiperidin-4-yl)methyl 5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate

(1-acetylpiperidin-4-yl)methyl 5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate (PubChem CID 155266452) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (1-acetylpiperidin-4-yl)methyl 5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Name(1-acetylpiperidin-4-yl)methyl 5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate
PubChem CID155266452
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(1-acetylpiperidin-4-yl)methyl 5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate
SMILESCC(=O)N1CCC(COC(=O)c2ccc(N3CCC(C)CC3)cn2)CC1
InChIInChI=1S/C20H29N3O3/c1-15-5-9-23(10-6-15)18-3-4-19(21-13-18)20(25)26-14-17-7-11-22(12-8-17)16(2)24/h3-4,13,15,17H,5-12,14H2,1-2H3
InChIKeyFNIQGMIBKLURQF-UHFFFAOYSA-N
XLogP2.73
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-acetylpiperidin-4-yl)methyl 5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate 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-acetylpiperidin-4-yl)methyl 5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate?
The IUPAC name of (1-acetylpiperidin-4-yl)methyl 5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate (CID 155266452) is (1-acetylpiperidin-4-yl)methyl 5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate.
What is the SMILES notation for (1-acetylpiperidin-4-yl)methyl 5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate?
The canonical SMILES for (1-acetylpiperidin-4-yl)methyl 5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate is CC(=O)N1CCC(COC(=O)c2ccc(N3CCC(C)CC3)cn2)CC1.
What is the InChIKey of (1-acetylpiperidin-4-yl)methyl 5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate?
The InChIKey is FNIQGMIBKLURQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15-5-9-23(10-6-15)18-3-4-19(21-13-18)20(25)26-14-17-7-11-22(12-8-17)16(2)24/h3-4,13,15,17H,5-12,14H2,1-2H3.
What are the key properties of (1-acetylpiperidin-4-yl)methyl 5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate?
(1-acetylpiperidin-4-yl)methyl 5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate has a molecular weight of 359.47 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylpiperidin-4-yl)methyl 5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate is sourced from PubChem (CID 155266452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).