2-butyl-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

C22H29N3O2 — CID 50756930

IUPAC2-butyl-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCCCCN1C(=O)c2cc3ccccc3n2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C22H29N3O2/c1-3-4-13-25-20(26)19-14-16-9-5-8-12-18(16)24(19)15-22(25,2)21(27)23-17-10-6-7-11-17/h5,8-9,12,14,17H,3-4,6-7,10-11,13,15H2,1-2H3,(H,23,27)
InChIKeyRLXQHYOPCMXKDJ-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.71
Rot. Bonds5

About 2-butyl-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

2-butyl-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 50756930) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-butyl-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name2-butyl-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID50756930
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-butyl-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCCCCN1C(=O)c2cc3ccccc3n2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C22H29N3O2/c1-3-4-13-25-20(26)19-14-16-9-5-8-12-18(16)24(19)15-22(25,2)21(27)23-17-10-6-7-11-17/h5,8-9,12,14,17H,3-4,6-7,10-11,13,15H2,1-2H3,(H,23,27)
InChIKeyRLXQHYOPCMXKDJ-UHFFFAOYSA-N
XLogP3.71
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273111
(3R)-N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739922
(3S)-N-cycloheptyl-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739929
(3S)-N-cyclohexyl-2-[3-[cyclohexyl(methyl)amino]propyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704109
(3S)-N-cyclohexyl-2-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704112
(3S)-2-butyl-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739552
(3S)-N-cyclohexyl-2-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704104
(3R)-2-[(4-chlorophenyl)methyl]-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704200
N-cycloheptyl-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523330
(3R)-N-cyclopentyl-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704234
(3R)-2-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739445
(3R)-N-cyclohexyl-3-methyl-1-oxo-2-[(4-propoxyphenyl)methyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92721776

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of 2-butyl-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 50756930) is 2-butyl-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for 2-butyl-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for 2-butyl-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is CCCCN1C(=O)c2cc3ccccc3n2CC1(C)C(=O)NC1CCCC1.
What is the InChIKey of 2-butyl-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is RLXQHYOPCMXKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-4-13-25-20(26)19-14-16-9-5-8-12-18(16)24(19)15-22(25,2)21(27)23-17-10-6-7-11-17/h5,8-9,12,14,17H,3-4,6-7,10-11,13,15H2,1-2H3,(H,23,27).
What are the key properties of 2-butyl-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
2-butyl-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 50756930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).