(3R)-N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide

C23H31N3O2 — CID 92739922

IUPAC(3R)-N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCCCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCC1
InChIInChI=1S/C23H31N3O2/c1-3-14-26-21(27)20-15-17-10-8-9-13-19(17)25(20)16-23(26,2)22(28)24-18-11-6-4-5-7-12-18/h8-10,13,15,18H,3-7,11-12,14,16H2,1-2H3,(H,24,28)/t23-/m1/s1
InChIKeyZTOXVOBFMCHWDP-HSZRJFAPSA-N
MW381.52 g/mol
LogP4.10
Rot. Bonds4

About (3R)-N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide

(3R)-N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92739922) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is (3R)-N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID92739922
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name(3R)-N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCCCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCC1
InChIInChI=1S/C23H31N3O2/c1-3-14-26-21(27)20-15-17-10-8-9-13-19(17)25(20)16-23(26,2)22(28)24-18-11-6-4-5-7-12-18/h8-10,13,15,18H,3-7,11-12,14,16H2,1-2H3,(H,24,28)/t23-/m1/s1
InChIKeyZTOXVOBFMCHWDP-HSZRJFAPSA-N
XLogP4.10
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide with MolForge

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Related Compounds

N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273111
2-butyl-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756930
(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
N-cycloheptyl-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523330
(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
(3R)-2-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739445
(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
(3S)-N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739448
(3R)-N-cyclohexyl-3-methyl-1-oxo-2-[(4-propoxyphenyl)methyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92721776
(3R)-2-[(4-chlorophenyl)methyl]-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704200
N-cycloheptyl-2-[(4-ethoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273123

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of (3R)-N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92739922) is (3R)-N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for (3R)-N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for (3R)-N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide is CCCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCC1.
What is the InChIKey of (3R)-N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is ZTOXVOBFMCHWDP-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-3-14-26-21(27)20-15-17-10-8-9-13-19(17)25(20)16-23(26,2)22(28)24-18-11-6-4-5-7-12-18/h8-10,13,15,18H,3-7,11-12,14,16H2,1-2H3,(H,24,28)/t23-/m1/s1.
What are the key properties of (3R)-N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide?
(3R)-N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92739922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).