2-[[3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]phenyl]methoxy]benzamide

C23H27N3O3 — CID 167933828

IUPAC2-[[3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]phenyl]methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1cccc(C(=O)N2CCN3CCCC[C@@H]3C2)c1
InChIInChI=1S/C23H27N3O3/c24-22(27)20-9-1-2-10-21(20)29-16-17-6-5-7-18(14-17)23(28)26-13-12-25-11-4-3-8-19(25)15-26/h1-2,5-7,9-10,14,19H,3-4,8,11-13,15-16H2,(H2,24,27)/t19-/m1/s1
InChIKeyNFPHFNHLBXACGW-LJQANCHMSA-N
MW393.49 g/mol
LogP2.67
Rot. Bonds5

About 2-[[3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]phenyl]methoxy]benzamide

2-[[3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]phenyl]methoxy]benzamide (PubChem CID 167933828) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[[3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]phenyl]methoxy]benzamide.

Molecular Properties

Compound Name2-[[3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]phenyl]methoxy]benzamide
PubChem CID167933828
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-[[3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]phenyl]methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1cccc(C(=O)N2CCN3CCCC[C@@H]3C2)c1
InChIInChI=1S/C23H27N3O3/c24-22(27)20-9-1-2-10-21(20)29-16-17-6-5-7-18(14-17)23(28)26-13-12-25-11-4-3-8-19(25)15-26/h1-2,5-7,9-10,14,19H,3-4,8,11-13,15-16H2,(H2,24,27)/t19-/m1/s1
InChIKeyNFPHFNHLBXACGW-LJQANCHMSA-N
XLogP2.67
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]phenyl]methoxy]benzamide with MolForge

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Related Compounds

1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-3-carboxylic acid
CID 119167810
2-[[3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]phenyl]methoxy]benzamide
CID 124573502
2-[[3-[(3S)-3-methylpiperazine-1-carbonyl]phenyl]methoxy]benzamide
CID 124693496
1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-2-carboxylic acid
CID 154750488
2-[[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)phenyl]methoxy]benzamide
CID 48500164
3-[(2-carbamoylphenoxy)methyl]benzoic acid
CID 24691110
[3-(aminomethyl)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168351
[4-(aminomethyl)phenyl]-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 60947643
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-aminophenyl)methanone;dihydrochloride
CID 119881540
2-[2-[3-(4-cyclobutylsulfonylpiperazine-1-carbonyl)phenyl]ethoxy]benzamide
CID 11648494
(4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 11175983
3-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]benzoic acid
CID 167806415

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]phenyl]methoxy]benzamide?
The IUPAC name of 2-[[3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]phenyl]methoxy]benzamide (CID 167933828) is 2-[[3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]phenyl]methoxy]benzamide.
What is the SMILES notation for 2-[[3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]phenyl]methoxy]benzamide?
The canonical SMILES for 2-[[3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]phenyl]methoxy]benzamide is NC(=O)c1ccccc1OCc1cccc(C(=O)N2CCN3CCCC[C@@H]3C2)c1.
What is the InChIKey of 2-[[3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]phenyl]methoxy]benzamide?
The InChIKey is NFPHFNHLBXACGW-LJQANCHMSA-N. The full InChI is InChI=1S/C23H27N3O3/c24-22(27)20-9-1-2-10-21(20)29-16-17-6-5-7-18(14-17)23(28)26-13-12-25-11-4-3-8-19(25)15-26/h1-2,5-7,9-10,14,19H,3-4,8,11-13,15-16H2,(H2,24,27)/t19-/m1/s1.
What are the key properties of 2-[[3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]phenyl]methoxy]benzamide?
2-[[3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]phenyl]methoxy]benzamide has a molecular weight of 393.49 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]phenyl]methoxy]benzamide is sourced from PubChem (CID 167933828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).