4-(7-amino-1H-indole-2-carbonyl)-1-methylpiperazin-2-one

C14H16N4O2 — CID 64682976

IUPAC4-(7-amino-1H-indole-2-carbonyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2cc3cccc(N)c3[nH]2)CC1=O
InChIInChI=1S/C14H16N4O2/c1-17-5-6-18(8-12(17)19)14(20)11-7-9-3-2-4-10(15)13(9)16-11/h2-4,7,16H,5-6,8,15H2,1H3
InChIKeyDYMUQBKGGPVHEI-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.66
Rot. Bonds1

About 4-(7-amino-1H-indole-2-carbonyl)-1-methylpiperazin-2-one

4-(7-amino-1H-indole-2-carbonyl)-1-methylpiperazin-2-one (PubChem CID 64682976) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(7-amino-1H-indole-2-carbonyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(7-amino-1H-indole-2-carbonyl)-1-methylpiperazin-2-one
PubChem CID64682976
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-(7-amino-1H-indole-2-carbonyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2cc3cccc(N)c3[nH]2)CC1=O
InChIInChI=1S/C14H16N4O2/c1-17-5-6-18(8-12(17)19)14(20)11-7-9-3-2-4-10(15)13(9)16-11/h2-4,7,16H,5-6,8,15H2,1H3
InChIKeyDYMUQBKGGPVHEI-UHFFFAOYSA-N
XLogP0.66
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(7-amino-1H-indole-2-carbonyl)piperazin-2-one
CID 63117488
(7-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 62058735
(7-amino-1H-indol-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107210797
4-(2-amino-6-methylbenzoyl)-1-methylpiperazin-2-one
CID 64682560
(7-amino-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 63117526
1-(7-amino-1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 63117509
(7-amino-1H-indol-2-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 63118076
(7-amino-1H-indol-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585611
(7-amino-1H-indol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63764630
4-(1-aminoisoquinoline-3-carbonyl)-1-methylpiperazin-2-one
CID 64694989
(7-amino-1H-indol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81205975
4-(2-amino-5-methylbenzoyl)-1-methylpiperazin-2-one
CID 64682422

Frequently Asked Questions

What is the IUPAC name of 4-(7-amino-1H-indole-2-carbonyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(7-amino-1H-indole-2-carbonyl)-1-methylpiperazin-2-one (CID 64682976) is 4-(7-amino-1H-indole-2-carbonyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(7-amino-1H-indole-2-carbonyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(7-amino-1H-indole-2-carbonyl)-1-methylpiperazin-2-one is CN1CCN(C(=O)c2cc3cccc(N)c3[nH]2)CC1=O.
What is the InChIKey of 4-(7-amino-1H-indole-2-carbonyl)-1-methylpiperazin-2-one?
The InChIKey is DYMUQBKGGPVHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-17-5-6-18(8-12(17)19)14(20)11-7-9-3-2-4-10(15)13(9)16-11/h2-4,7,16H,5-6,8,15H2,1H3.
What are the key properties of 4-(7-amino-1H-indole-2-carbonyl)-1-methylpiperazin-2-one?
4-(7-amino-1H-indole-2-carbonyl)-1-methylpiperazin-2-one has a molecular weight of 272.31 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-amino-1H-indole-2-carbonyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 64682976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).