(9aR)-N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

C18H29N3O3 — CID 124885042

IUPAC(9aR)-N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
SMILESCOCC[C@H](NC(=O)N1CCN2CCCC[C@@H]2C1)c1ccc(C)o1
InChIInChI=1S/C18H29N3O3/c1-14-6-7-17(24-14)16(8-12-23-2)19-18(22)21-11-10-20-9-4-3-5-15(20)13-21/h6-7,15-16H,3-5,8-13H2,1-2H3,(H,19,22)/t15-,16+/m1/s1
InChIKeySJIPTEWWNJLLOH-CVEARBPZSA-N
MW335.45 g/mol
LogP2.55
Rot. Bonds5

About (9aR)-N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

(9aR)-N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide (PubChem CID 124885042) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is (9aR)-N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(9aR)-N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
PubChem CID124885042
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name(9aR)-N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
SMILESCOCC[C@H](NC(=O)N1CCN2CCCC[C@@H]2C1)c1ccc(C)o1
InChIInChI=1S/C18H29N3O3/c1-14-6-7-17(24-14)16(8-12-23-2)19-18(22)21-11-10-20-9-4-3-5-15(20)13-21/h6-7,15-16H,3-5,8-13H2,1-2H3,(H,19,22)/t15-,16+/m1/s1
InChIKeySJIPTEWWNJLLOH-CVEARBPZSA-N
XLogP2.55
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (9aR)-N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

(9aS)-N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 124885044
1-[[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122009381
4-[[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamoyl]benzoic acid
CID 120552756
N-[(4-methoxy-2-methylphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 138044140
(3S)-N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 124608574
(2R)-2-(1H-imidazol-2-yl)-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide
CID 124608585
2-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-1-piperidin-1-ylethanone
CID 75504575
4-cyclopropyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]piperazine-1-carboxamide
CID 97071232
N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 124608580
(2S)-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)-4-hydroxybutanoic acid
CID 107828364
(9aS)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 129423824
3-[3-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-hydroxyanilino]-4-[1-(5-methylfuran-2-yl)propylamino]cyclobut-3-ene-1,2-dione
CID 135286875

Frequently Asked Questions

What is the IUPAC name of (9aR)-N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (9aR)-N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide (CID 124885042) is (9aR)-N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (9aR)-N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (9aR)-N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide is COCC[C@H](NC(=O)N1CCN2CCCC[C@@H]2C1)c1ccc(C)o1.
What is the InChIKey of (9aR)-N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
The InChIKey is SJIPTEWWNJLLOH-CVEARBPZSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-14-6-7-17(24-14)16(8-12-23-2)19-18(22)21-11-10-20-9-4-3-5-15(20)13-21/h6-7,15-16H,3-5,8-13H2,1-2H3,(H,19,22)/t15-,16+/m1/s1.
What are the key properties of (9aR)-N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
(9aR)-N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 124885042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).