N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylmorpholine-4-carboxamide

C13H23N3O2 — CID 79152855

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylmorpholine-4-carboxamide
SMILESCN(C(=O)N1CCOCC1)C1CC2CCC(C1)N2
InChIInChI=1S/C13H23N3O2/c1-15(13(17)16-4-6-18-7-5-16)12-8-10-2-3-11(9-12)14-10/h10-12,14H,2-9H2,1H3
InChIKeyYCZHNNLSYHCUAB-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.65
Rot. Bonds1

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylmorpholine-4-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylmorpholine-4-carboxamide (PubChem CID 79152855) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylmorpholine-4-carboxamide
PubChem CID79152855
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylmorpholine-4-carboxamide
SMILESCN(C(=O)N1CCOCC1)C1CC2CCC(C1)N2
InChIInChI=1S/C13H23N3O2/c1-15(13(17)16-4-6-18-7-5-16)12-8-10-2-3-11(9-12)14-10/h10-12,14H,2-9H2,1H3
InChIKeyYCZHNNLSYHCUAB-UHFFFAOYSA-N
XLogP0.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylmorpholine-4-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylmorpholine-4-carboxamide (CID 79152855) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylmorpholine-4-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylmorpholine-4-carboxamide is CN(C(=O)N1CCOCC1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylmorpholine-4-carboxamide?
The InChIKey is YCZHNNLSYHCUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-15(13(17)16-4-6-18-7-5-16)12-8-10-2-3-11(9-12)14-10/h10-12,14H,2-9H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylmorpholine-4-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylmorpholine-4-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylmorpholine-4-carboxamide is sourced from PubChem (CID 79152855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).