(3R)-N-benzyl-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrazino[1,2-a]indole-3-carboxamide

C29H29N3O2 — CID 92740278

IUPAC(3R)-N-benzyl-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESC[C@H](CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C29H29N3O2/c1-21(23-13-7-4-8-14-23)19-32-27(33)26-17-24-15-9-10-16-25(24)31(26)20-29(32,2)28(34)30-18-22-11-5-3-6-12-22/h3-17,21H,18-20H2,1-2H3,(H,30,34)/t21-,29-/m1/s1
InChIKeyIEHSCOLCRKOZSA-ONOMSOESSA-N
MW451.57 g/mol
LogP4.98
Rot. Bonds6

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

(3R)-N-benzyl-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92740278) has the molecular formula C29H29N3O2 and a molecular weight of 451.57 g/mol. Its IUPAC name is (3R)-N-benzyl-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID92740278
Molecular FormulaC29H29N3O2
Molecular Weight451.57 g/mol
Exact Mass451.23
IUPAC Name(3R)-N-benzyl-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESC[C@H](CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C29H29N3O2/c1-21(23-13-7-4-8-14-23)19-32-27(33)26-17-24-15-9-10-16-25(24)31(26)20-29(32,2)28(34)30-18-22-11-5-3-6-12-22/h3-17,21H,18-20H2,1-2H3,(H,30,34)/t21-,29-/m1/s1
InChIKeyIEHSCOLCRKOZSA-ONOMSOESSA-N
XLogP4.98
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(3R)-N-benzyl-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740266
(3S)-N-cyclohexyl-3-methyl-1-oxo-2-[(2R)-2-phenylpropyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739468
N-benzyl-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273132
(3R)-N-benzyl-2-[(2-chlorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740254
(3R)-N-benzyl-2-[(3-chlorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740250
(3R)-N-benzyl-2-[(4-ethoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704851
N-[2-(benzylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46261279
(3S)-N-benzyl-2-[2-(4-ethoxyphenyl)ethyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739961
(3S)-N-benzyl-2-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 98225429
(3R)-N-benzyl-2-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 98225428
2-benzyl-3-methyl-1-oxo-N-(3-propan-2-yloxypropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273238
N-benzyl-2-(1-benzylpiperidin-4-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273142

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92740278) is (3R)-N-benzyl-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrazino[1,2-a]indole-3-carboxamide is C[C@H](CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCc1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-N-benzyl-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is IEHSCOLCRKOZSA-ONOMSOESSA-N. The full InChI is InChI=1S/C29H29N3O2/c1-21(23-13-7-4-8-14-23)19-32-27(33)26-17-24-15-9-10-16-25(24)31(26)20-29(32,2)28(34)30-18-22-11-5-3-6-12-22/h3-17,21H,18-20H2,1-2H3,(H,30,34)/t21-,29-/m1/s1.
What are the key properties of (3R)-N-benzyl-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrazino[1,2-a]indole-3-carboxamide?
(3R)-N-benzyl-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92740278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).