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

C21H24N4O3 — CID 90462047

IUPACN-[(3R,4R)-4-methyl-1-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carbonyl)piperidin-3-yl]prop-2-enamide
SMILESC=CC(=O)N[C@H]1CN(C(=O)c2ccc3cc4n(c3c2)CCNC4=O)CC[C@H]1C
InChIInChI=1S/C21H24N4O3/c1-3-19(26)23-16-12-24(8-6-13(16)2)21(28)15-5-4-14-10-18-20(27)22-7-9-25(18)17(14)11-15/h3-5,10-11,13,16H,1,6-9,12H2,2H3,(H,22,27)(H,23,26)/t13-,16+/m1/s1
InChIKeyOXVYBWMNPDBCJM-CJNGLKHVSA-N
MW380.45 g/mol
LogP1.54
Rot. Bonds3

About 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

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 (PubChem CID 90462047) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(3R,4R)-4-methyl-1-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carbonyl)piperidin-3-yl]prop-2-enamide
PubChem CID90462047
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[(3R,4R)-4-methyl-1-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carbonyl)piperidin-3-yl]prop-2-enamide
SMILESC=CC(=O)N[C@H]1CN(C(=O)c2ccc3cc4n(c3c2)CCNC4=O)CC[C@H]1C
InChIInChI=1S/C21H24N4O3/c1-3-19(26)23-16-12-24(8-6-13(16)2)21(28)15-5-4-14-10-18-20(27)22-7-9-25(18)17(14)11-15/h3-5,10-11,13,16H,1,6-9,12H2,2H3,(H,22,27)(H,23,26)/t13-,16+/m1/s1
InChIKeyOXVYBWMNPDBCJM-CJNGLKHVSA-N
XLogP1.54
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-oxo-N-(1-prop-2-enoylpiperidin-3-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
CID 118597413
7-acetyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 144714898
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-[5-methyl-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1,3-benzoxazol-4-yl]prop-2-enamide
CID 90462012
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
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
8-bromo-N-[1-(4-fluorobenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167988612
(3-chloro-4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone
CID 102961716
N-[2-hydroxy-5-[4-[(1R)-1-hydroxyethyl]piperidine-1-carbonyl]phenyl]prop-2-enamide
CID 167903423
(3-hydroxypyrrolidin-1-yl)-(1-methylindol-6-yl)methanone
CID 112530732
(6-bromonaphthalen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900236
(3-bromo-4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone
CID 102962324

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC(=O)N[C@H]1CN(C(=O)c2ccc3cc4n(c3c2)CCNC4=O)CC[C@H]1C.
What is the InChIKey of 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?
The InChIKey is OXVYBWMNPDBCJM-CJNGLKHVSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-3-19(26)23-16-12-24(8-6-13(16)2)21(28)15-5-4-14-10-18-20(27)22-7-9-25(18)17(14)11-15/h3-5,10-11,13,16H,1,6-9,12H2,2H3,(H,22,27)(H,23,26)/t13-,16+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 380.45 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90462047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).