1-oxo-N-(1-prop-2-enoylpiperidin-3-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide

C20H22N4O3 — CID 118597413

IUPAC1-oxo-N-(1-prop-2-enoylpiperidin-3-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESC=CC(=O)N1CCCC(NC(=O)c2ccc3cc4n(c3c2)CCNC4=O)C1
InChIInChI=1S/C20H22N4O3/c1-2-18(25)23-8-3-4-15(12-23)22-19(26)14-6-5-13-10-17-20(27)21-7-9-24(17)16(13)11-14/h2,5-6,10-11,15H,1,3-4,7-9,12H2,(H,21,27)(H,22,26)
InChIKeyHYOIPYRYERLLER-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.29
Rot. Bonds3

About 1-oxo-N-(1-prop-2-enoylpiperidin-3-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide

1-oxo-N-(1-prop-2-enoylpiperidin-3-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (PubChem CID 118597413) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-oxo-N-(1-prop-2-enoylpiperidin-3-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.

Molecular Properties

Compound Name1-oxo-N-(1-prop-2-enoylpiperidin-3-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
PubChem CID118597413
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name1-oxo-N-(1-prop-2-enoylpiperidin-3-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESC=CC(=O)N1CCCC(NC(=O)c2ccc3cc4n(c3c2)CCNC4=O)C1
InChIInChI=1S/C20H22N4O3/c1-2-18(25)23-8-3-4-15(12-23)22-19(26)14-6-5-13-10-17-20(27)21-7-9-24(17)16(13)11-14/h2,5-6,10-11,15H,1,3-4,7-9,12H2,(H,21,27)(H,22,26)
InChIKeyHYOIPYRYERLLER-UHFFFAOYSA-N
XLogP1.29
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-oxo-N-[(1S,2R)-2-(prop-2-enoylamino)cyclohexyl]-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
CID 118597392
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
7-acetyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 144714898
3-methyl-5-oxo-N-(1-prop-2-enoylpiperidin-3-yl)-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepine-9-carboxamide
CID 123446592
7-[2-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 158597603
N-[1-[4-[ethenyl(prop-2-enoyl)amino]benzoyl]piperidin-3-yl]-1H-indole-6-carboxamide
CID 143028605
N-[4-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(prop-2-enoylamino)phenyl]-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
CID 144714893
N-(1-prop-2-enoylpiperidin-3-yl)acetamide
CID 60949044
N-[1-ethenylsulfonyl-6-[[5-oxo-9-[(1-prop-2-enoylpiperidin-3-yl)carbamoyl]-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-3-yl]methyl]piperidin-3-yl]-3-methyl-5-oxo-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepine-9-carboxamide
CID 123831685
1-oxo-N-quinolin-3-yl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
CID 57397732
4-fluoro-N-[1-(4-fluorobenzoyl)piperidin-3-yl]benzamide
CID 11450767
7-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 123146872

Frequently Asked Questions

What is the IUPAC name of 1-oxo-N-(1-prop-2-enoylpiperidin-3-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The IUPAC name of 1-oxo-N-(1-prop-2-enoylpiperidin-3-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (CID 118597413) is 1-oxo-N-(1-prop-2-enoylpiperidin-3-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.
What is the SMILES notation for 1-oxo-N-(1-prop-2-enoylpiperidin-3-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The canonical SMILES for 1-oxo-N-(1-prop-2-enoylpiperidin-3-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is C=CC(=O)N1CCCC(NC(=O)c2ccc3cc4n(c3c2)CCNC4=O)C1.
What is the InChIKey of 1-oxo-N-(1-prop-2-enoylpiperidin-3-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The InChIKey is HYOIPYRYERLLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-2-18(25)23-8-3-4-15(12-23)22-19(26)14-6-5-13-10-17-20(27)21-7-9-24(17)16(13)11-14/h2,5-6,10-11,15H,1,3-4,7-9,12H2,(H,21,27)(H,22,26).
What are the key properties of 1-oxo-N-(1-prop-2-enoylpiperidin-3-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
1-oxo-N-(1-prop-2-enoylpiperidin-3-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-N-(1-prop-2-enoylpiperidin-3-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is sourced from PubChem (CID 118597413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).