3-N-(1-azabicyclo[2.2.2]octan-3-yl)-1-N-cyclopentyl-3-N-methylpiperidine-1,3-dicarboxamide

C20H34N4O2 — CID 127391111

IUPAC3-N-(1-azabicyclo[2.2.2]octan-3-yl)-1-N-cyclopentyl-3-N-methylpiperidine-1,3-dicarboxamide
SMILESCN(C(=O)C1CCCN(C(=O)NC2CCCC2)C1)C1CN2CCC1CC2
InChIInChI=1S/C20H34N4O2/c1-22(18-14-23-11-8-15(18)9-12-23)19(25)16-5-4-10-24(13-16)20(26)21-17-6-2-3-7-17/h15-18H,2-14H2,1H3,(H,21,26)
InChIKeyAWIONAVRGDRGFQ-UHFFFAOYSA-N
MW362.52 g/mol
LogP1.90
Rot. Bonds3

About 3-N-(1-azabicyclo[2.2.2]octan-3-yl)-1-N-cyclopentyl-3-N-methylpiperidine-1,3-dicarboxamide

3-N-(1-azabicyclo[2.2.2]octan-3-yl)-1-N-cyclopentyl-3-N-methylpiperidine-1,3-dicarboxamide (PubChem CID 127391111) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 3-N-(1-azabicyclo[2.2.2]octan-3-yl)-1-N-cyclopentyl-3-N-methylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(1-azabicyclo[2.2.2]octan-3-yl)-1-N-cyclopentyl-3-N-methylpiperidine-1,3-dicarboxamide
PubChem CID127391111
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name3-N-(1-azabicyclo[2.2.2]octan-3-yl)-1-N-cyclopentyl-3-N-methylpiperidine-1,3-dicarboxamide
SMILESCN(C(=O)C1CCCN(C(=O)NC2CCCC2)C1)C1CN2CCC1CC2
InChIInChI=1S/C20H34N4O2/c1-22(18-14-23-11-8-15(18)9-12-23)19(25)16-5-4-10-24(13-16)20(26)21-17-6-2-3-7-17/h15-18H,2-14H2,1H3,(H,21,26)
InChIKeyAWIONAVRGDRGFQ-UHFFFAOYSA-N
XLogP1.90
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-(1-azabicyclo[2.2.2]octan-3-yl)-1-N-cyclopentyl-3-N-methylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(1-azabicyclo[2.2.2]octan-3-yl)-1-N-cyclopentyl-3-N-methylpiperidine-1,3-dicarboxamide (CID 127391111) is 3-N-(1-azabicyclo[2.2.2]octan-3-yl)-1-N-cyclopentyl-3-N-methylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(1-azabicyclo[2.2.2]octan-3-yl)-1-N-cyclopentyl-3-N-methylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(1-azabicyclo[2.2.2]octan-3-yl)-1-N-cyclopentyl-3-N-methylpiperidine-1,3-dicarboxamide is CN(C(=O)C1CCCN(C(=O)NC2CCCC2)C1)C1CN2CCC1CC2.
What is the InChIKey of 3-N-(1-azabicyclo[2.2.2]octan-3-yl)-1-N-cyclopentyl-3-N-methylpiperidine-1,3-dicarboxamide?
The InChIKey is AWIONAVRGDRGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-22(18-14-23-11-8-15(18)9-12-23)19(25)16-5-4-10-24(13-16)20(26)21-17-6-2-3-7-17/h15-18H,2-14H2,1H3,(H,21,26).
What are the key properties of 3-N-(1-azabicyclo[2.2.2]octan-3-yl)-1-N-cyclopentyl-3-N-methylpiperidine-1,3-dicarboxamide?
3-N-(1-azabicyclo[2.2.2]octan-3-yl)-1-N-cyclopentyl-3-N-methylpiperidine-1,3-dicarboxamide has a molecular weight of 362.52 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-azabicyclo[2.2.2]octan-3-yl)-1-N-cyclopentyl-3-N-methylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 127391111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).