N-cyclooctyl-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

C27H39N3O5 — CID 22523447

IUPACN-cyclooctyl-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOCCCN1C(=O)c2cc3c(OC)ccc(OC)c3n2CC1(C)C(=O)NC1CCCCCCC1
InChIInChI=1S/C27H39N3O5/c1-27(26(32)28-19-11-8-6-5-7-9-12-19)18-29-21(25(31)30(27)15-10-16-33-2)17-20-22(34-3)13-14-23(35-4)24(20)29/h13-14,17,19H,5-12,15-16,18H2,1-4H3,(H,28,32)
InChIKeyFRPWYTYEAPORMM-UHFFFAOYSA-N
MW485.63 g/mol
LogP4.14
Rot. Bonds8

About N-cyclooctyl-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

N-cyclooctyl-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 22523447) has the molecular formula C27H39N3O5 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-cyclooctyl-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID22523447
Molecular FormulaC27H39N3O5
Molecular Weight485.63 g/mol
Exact Mass485.29
IUPAC NameN-cyclooctyl-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOCCCN1C(=O)c2cc3c(OC)ccc(OC)c3n2CC1(C)C(=O)NC1CCCCCCC1
InChIInChI=1S/C27H39N3O5/c1-27(26(32)28-19-11-8-6-5-7-9-12-19)18-29-21(25(31)30(27)15-10-16-33-2)17-20-22(34-3)13-14-23(35-4)24(20)29/h13-14,17,19H,5-12,15-16,18H2,1-4H3,(H,28,32)
InChIKeyFRPWYTYEAPORMM-UHFFFAOYSA-N
XLogP4.14
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclooctyl-6,9-dimethoxy-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523444
N-cyclopentyl-2-ethyl-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide;methanol
CID 143130275
(3R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704184
(3S)-2-benzyl-N-cyclohexyl-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739589
N-cycloheptyl-6,9-dimethoxy-3-methyl-2-(2-methylhexyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 71172218
(3S)-N-cyclohexyl-2-[(3-fluorophenyl)methyl]-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739615
(3S)-N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739591
(3S)-N-cycloheptyl-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739929
N-cyclopentyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273083
(3S)-N-cyclopentyl-2-[(2-fluorophenyl)methyl]-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739877
(3S)-N-cyclohexyl-6,9-dimethoxy-3-methyl-1-oxo-2-[(1R)-1-phenylethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739623
N-cyclopentyl-10-(3-methoxypropyl)-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22514646

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of N-cyclooctyl-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 22523447) is N-cyclooctyl-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for N-cyclooctyl-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for N-cyclooctyl-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is COCCCN1C(=O)c2cc3c(OC)ccc(OC)c3n2CC1(C)C(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is FRPWYTYEAPORMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O5/c1-27(26(32)28-19-11-8-6-5-7-9-12-19)18-29-21(25(31)30(27)15-10-16-33-2)17-20-22(34-3)13-14-23(35-4)24(20)29/h13-14,17,19H,5-12,15-16,18H2,1-4H3,(H,28,32).
What are the key properties of N-cyclooctyl-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
N-cyclooctyl-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 485.63 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 22523447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).