N-[1-(3-methoxy-4-pyridinyl)ethyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide

C16H24N4O3 — CID 127992628

IUPACN-[1-(3-methoxy-4-pyridinyl)ethyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
SMILESCOc1cnccc1C(C)NC(=O)N1CCN2CCOCC2C1
InChIInChI=1S/C16H24N4O3/c1-12(14-3-4-17-9-15(14)22-2)18-16(21)20-6-5-19-7-8-23-11-13(19)10-20/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,18,21)
InChIKeyGLWVZLBEHBUNJU-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.88
Rot. Bonds3

About N-[1-(3-methoxy-4-pyridinyl)ethyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide

N-[1-(3-methoxy-4-pyridinyl)ethyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide (PubChem CID 127992628) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[1-(3-methoxy-4-pyridinyl)ethyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxy-4-pyridinyl)ethyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
PubChem CID127992628
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-[1-(3-methoxy-4-pyridinyl)ethyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
SMILESCOc1cnccc1C(C)NC(=O)N1CCN2CCOCC2C1
InChIInChI=1S/C16H24N4O3/c1-12(14-3-4-17-9-15(14)22-2)18-16(21)20-6-5-19-7-8-23-11-13(19)10-20/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,18,21)
InChIKeyGLWVZLBEHBUNJU-UHFFFAOYSA-N
XLogP0.88
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3-methoxy-4-pyridinyl)ethyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-((4-(((3,4-Dihydro-2H-pyrano(2,3-c)pyridin-6-yl)methyl)amino)-1-piperidinyl)methyl)-1,2-dihydro-3H,8H-2a,5,8a-triazaacenaphthylene-3,8-dione
CID 25101874
(2R)-N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
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N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
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3-({4-[({2H,3H,4H-pyrano[2,3-c]pyridin-6-yl}methyl)amino]piperidin-1-yl}methyl)-1,4,7-triazatricyclo[6.3.1.0,4,12]dodeca-6,8(12),9-triene-5,11-dione
CID 77528802
2-(1-benzyl-3-oxo-2-piperazinyl)-N-[3-(3-pyridinyloxy)propyl]acetamide
CID 24790546
N-[(1S,2R)-2-phenylcyclopropyl]-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 76325077
N-phenyl-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643559
N-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643566
2-(pyridin-3-yloxymethyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride
CID 90643567
N-(4-propan-2-ylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643568
N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643569
(2R)-N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643570

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxy-4-pyridinyl)ethyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide?
The IUPAC name of N-[1-(3-methoxy-4-pyridinyl)ethyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide (CID 127992628) is N-[1-(3-methoxy-4-pyridinyl)ethyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide.
What is the SMILES notation for N-[1-(3-methoxy-4-pyridinyl)ethyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide?
The canonical SMILES for N-[1-(3-methoxy-4-pyridinyl)ethyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide is COc1cnccc1C(C)NC(=O)N1CCN2CCOCC2C1.
What is the InChIKey of N-[1-(3-methoxy-4-pyridinyl)ethyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide?
The InChIKey is GLWVZLBEHBUNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-12(14-3-4-17-9-15(14)22-2)18-16(21)20-6-5-19-7-8-23-11-13(19)10-20/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,18,21).
What are the key properties of N-[1-(3-methoxy-4-pyridinyl)ethyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide?
N-[1-(3-methoxy-4-pyridinyl)ethyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxy-4-pyridinyl)ethyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide is sourced from PubChem (CID 127992628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).