2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-N-cyclopropylbenzamide

C20H28N2O2 — CID 56883556

IUPAC2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccccc1OC[C@@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C20H28N2O2/c23-20(21-16-10-11-16)17-7-1-2-9-19(17)24-14-15-6-5-13-22-12-4-3-8-18(15)22/h1-2,7,9,15-16,18H,3-6,8,10-14H2,(H,21,23)/t15-,18+/m0/s1
InChIKeyCDMVOUABEYOPIL-MAUKXSAKSA-N
MW328.46 g/mol
LogP3.22
Rot. Bonds5

About 2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-N-cyclopropylbenzamide

2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-N-cyclopropylbenzamide (PubChem CID 56883556) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-N-cyclopropylbenzamide
PubChem CID56883556
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccccc1OC[C@@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C20H28N2O2/c23-20(21-16-10-11-16)17-7-1-2-9-19(17)24-14-15-6-5-13-22-12-4-3-8-18(15)22/h1-2,7,9,15-16,18H,3-6,8,10-14H2,(H,21,23)/t15-,18+/m0/s1
InChIKeyCDMVOUABEYOPIL-MAUKXSAKSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-N-cyclopropylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 2-hydroxybenzoate
CID 11915168
N-cyclopropyl-2-[[1-(3-methylbutyl)piperidin-3-yl]methoxy]benzamide
CID 91913506
[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl N-benzoylcarbamate
CID 11894603
[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 2-fluorobenzoate
CID 11873105
[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 2-fluorobenzoate
CID 929092
3-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]pyridin-2-amine
CID 56899477
N-cyclopropyl-2-[[1-(thiophene-2-carbonyl)piperidin-3-yl]methoxy]benzamide
CID 163339679
cis-(1S,3R)-3-[(2-ethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677160
N-cyclopentyl-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide
CID 86792594
[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl N-(2-fluorophenoxy)sulfonylcarbamate
CID 7044817
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
2-chloro-N-cyclopentylbenzamide
CID 669043

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-N-cyclopropylbenzamide?
The IUPAC name of 2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-N-cyclopropylbenzamide (CID 56883556) is 2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-N-cyclopropylbenzamide?
The canonical SMILES for 2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-N-cyclopropylbenzamide is O=C(NC1CC1)c1ccccc1OC[C@@H]1CCCN2CCCC[C@H]12.
What is the InChIKey of 2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-N-cyclopropylbenzamide?
The InChIKey is CDMVOUABEYOPIL-MAUKXSAKSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-20(21-16-10-11-16)17-7-1-2-9-19(17)24-14-15-6-5-13-22-12-4-3-8-18(15)22/h1-2,7,9,15-16,18H,3-6,8,10-14H2,(H,21,23)/t15-,18+/m0/s1.
What are the key properties of 2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-N-cyclopropylbenzamide?
2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-N-cyclopropylbenzamide has a molecular weight of 328.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-N-cyclopropylbenzamide is sourced from PubChem (CID 56883556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).