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

C13H14N4O2 — CID 63117488

IUPAC4-(7-amino-1H-indole-2-carbonyl)piperazin-2-one
SMILESNc1cccc2cc(C(=O)N3CCNC(=O)C3)[nH]c12
InChIInChI=1S/C13H14N4O2/c14-9-3-1-2-8-6-10(16-12(8)9)13(19)17-5-4-15-11(18)7-17/h1-3,6,16H,4-5,7,14H2,(H,15,18)
InChIKeyPYDNQOKAJAYXLQ-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.32
Rot. Bonds1

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

4-(7-amino-1H-indole-2-carbonyl)piperazin-2-one (PubChem CID 63117488) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-(7-amino-1H-indole-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(7-amino-1H-indole-2-carbonyl)piperazin-2-one
PubChem CID63117488
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name4-(7-amino-1H-indole-2-carbonyl)piperazin-2-one
SMILESNc1cccc2cc(C(=O)N3CCNC(=O)C3)[nH]c12
InChIInChI=1S/C13H14N4O2/c14-9-3-1-2-8-6-10(16-12(8)9)13(19)17-5-4-15-11(18)7-17/h1-3,6,16H,4-5,7,14H2,(H,15,18)
InChIKeyPYDNQOKAJAYXLQ-UHFFFAOYSA-N
XLogP0.32
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

4-(7-amino-1H-indole-2-carbonyl)-1-methylpiperazin-2-one
CID 64682976
(7-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 62058735
(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
4-(2-amino-6-methoxybenzoyl)piperazin-2-one
CID 81410266
4-(6-aminopyridine-2-carbonyl)piperazin-2-one;hydrochloride
CID 119998920
4-(3-iodobenzoyl)piperazin-2-one
CID 10381947
(7-amino-1H-indol-2-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 63118076
4-(2-amino-5-methylbenzoyl)piperazin-2-one
CID 62510710
(7-amino-1H-indol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63764630
4-(4-aminobenzoyl)piperazin-2-one;hydrochloride
CID 119681651
4-(3-aminothiophene-2-carbonyl)piperazin-2-one
CID 61090174

Frequently Asked Questions

What is the IUPAC name of 4-(7-amino-1H-indole-2-carbonyl)piperazin-2-one?
The IUPAC name of 4-(7-amino-1H-indole-2-carbonyl)piperazin-2-one (CID 63117488) is 4-(7-amino-1H-indole-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(7-amino-1H-indole-2-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(7-amino-1H-indole-2-carbonyl)piperazin-2-one is Nc1cccc2cc(C(=O)N3CCNC(=O)C3)[nH]c12.
What is the InChIKey of 4-(7-amino-1H-indole-2-carbonyl)piperazin-2-one?
The InChIKey is PYDNQOKAJAYXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-9-3-1-2-8-6-10(16-12(8)9)13(19)17-5-4-15-11(18)7-17/h1-3,6,16H,4-5,7,14H2,(H,15,18).
What are the key properties of 4-(7-amino-1H-indole-2-carbonyl)piperazin-2-one?
4-(7-amino-1H-indole-2-carbonyl)piperazin-2-one has a molecular weight of 258.28 g/mol, XLogP of 0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-amino-1H-indole-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 63117488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).