N-[4-[2-oxo-2-(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-yl)ethyl]oxolan-3-yl]prop-2-enamide

C23H25N3O4 — CID 158455782

IUPACN-[4-[2-oxo-2-(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-yl)ethyl]oxolan-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1COCC1CC(=O)c1ccc2cc3n(c2c1)C1(CCC1)CNC3=O
InChIInChI=1S/C23H25N3O4/c1-2-21(28)25-17-12-30-11-16(17)10-20(27)15-5-4-14-8-19-22(29)24-13-23(6-3-7-23)26(19)18(14)9-15/h2,4-5,8-9,16-17H,1,3,6-7,10-13H2,(H,24,29)(H,25,28)
InChIKeyPKSOPNLPPRBZEY-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.15
Rot. Bonds5

About N-[4-[2-oxo-2-(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-yl)ethyl]oxolan-3-yl]prop-2-enamide

N-[4-[2-oxo-2-(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-yl)ethyl]oxolan-3-yl]prop-2-enamide (PubChem CID 158455782) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-yl)ethyl]oxolan-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-yl)ethyl]oxolan-3-yl]prop-2-enamide
PubChem CID158455782
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-[4-[2-oxo-2-(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-yl)ethyl]oxolan-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1COCC1CC(=O)c1ccc2cc3n(c2c1)C1(CCC1)CNC3=O
InChIInChI=1S/C23H25N3O4/c1-2-21(28)25-17-12-30-11-16(17)10-20(27)15-5-4-14-8-19-22(29)24-13-23(6-3-7-23)26(19)18(14)9-15/h2,4-5,8-9,16-17H,1,3,6-7,10-13H2,(H,24,29)(H,25,28)
InChIKeyPKSOPNLPPRBZEY-UHFFFAOYSA-N
XLogP2.15
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-oxo-N-[(3R,4S)-4-(prop-2-enoylamino)oxolan-3-yl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide
CID 118597384
7-[2-(2-aminocyclopentyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one
CID 157187864
N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide
CID 158060020
7-[2-(2-aminophenyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one
CID 159306647
N-[4-[2-oxo-2-(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-yl)ethyl]-2-piperidin-1-yl-1,3-thiazol-5-yl]prop-2-enamide
CID 147824626
9-oxo-N-[2-(prop-2-enoylamino)cyclohexyl]spiro[7,8-dihydropyrido[1,2-a]indole-6,1'-cyclobutane]-3-carboxamide
CID 118603760
7-[2-(3,3-dimethyl-4-prop-2-enoyl-2H-1,4-benzoxazin-6-yl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one
CID 160712668
7-[2-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one
CID 148799982
1-oxo-N-[(1S,2R)-2-(prop-2-enoylamino)cyclohexyl]-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
CID 118597392
N-[(3S,4R)-4-(1-oxo-3,4-dihydropyrazino[1,2-a]indol-2-yl)oxolan-3-yl]prop-2-enamide
CID 141417259
N-[2-(4-methylpiperazin-1-yl)-5-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]phenyl]prop-2-enamide;N-[2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1H-benzimidazol-4-yl]prop-2-enamide;N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide;N-[3-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]-4-pyridinyl]prop-2-enamide;7-[2-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one;7-[2-(2-prop-2-enoyl-1,3-dihydroisoindol-4-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 158683531
N-[(3R,4R)-4-methyl-1-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carbonyl)piperidin-3-yl]prop-2-enamide
CID 90462047

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-yl)ethyl]oxolan-3-yl]prop-2-enamide?
The IUPAC name of N-[4-[2-oxo-2-(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-yl)ethyl]oxolan-3-yl]prop-2-enamide (CID 158455782) is N-[4-[2-oxo-2-(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-yl)ethyl]oxolan-3-yl]prop-2-enamide.
What is the SMILES notation for N-[4-[2-oxo-2-(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-yl)ethyl]oxolan-3-yl]prop-2-enamide?
The canonical SMILES for N-[4-[2-oxo-2-(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-yl)ethyl]oxolan-3-yl]prop-2-enamide is C=CC(=O)NC1COCC1CC(=O)c1ccc2cc3n(c2c1)C1(CCC1)CNC3=O.
What is the InChIKey of N-[4-[2-oxo-2-(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-yl)ethyl]oxolan-3-yl]prop-2-enamide?
The InChIKey is PKSOPNLPPRBZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-2-21(28)25-17-12-30-11-16(17)10-20(27)15-5-4-14-8-19-22(29)24-13-23(6-3-7-23)26(19)18(14)9-15/h2,4-5,8-9,16-17H,1,3,6-7,10-13H2,(H,24,29)(H,25,28).
What are the key properties of N-[4-[2-oxo-2-(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-yl)ethyl]oxolan-3-yl]prop-2-enamide?
N-[4-[2-oxo-2-(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-yl)ethyl]oxolan-3-yl]prop-2-enamide has a molecular weight of 407.47 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-yl)ethyl]oxolan-3-yl]prop-2-enamide is sourced from PubChem (CID 158455782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).