4-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethylamino]chromen-2-one

C20H21N3O3S — CID 30342629

IUPAC4-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethylamino]chromen-2-one
SMILESO=C(c1cccs1)N1CCN(CCNc2cc(=O)oc3ccccc23)CC1
InChIInChI=1S/C20H21N3O3S/c24-19-14-16(15-4-1-2-5-17(15)26-19)21-7-8-22-9-11-23(12-10-22)20(25)18-6-3-13-27-18/h1-6,13-14,21H,7-12H2
InChIKeyWZYBJFBQHMNQHA-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.72
Rot. Bonds5

About 4-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethylamino]chromen-2-one

4-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethylamino]chromen-2-one (PubChem CID 30342629) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethylamino]chromen-2-one.

Molecular Properties

Compound Name4-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethylamino]chromen-2-one
PubChem CID30342629
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name4-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethylamino]chromen-2-one
SMILESO=C(c1cccs1)N1CCN(CCNc2cc(=O)oc3ccccc23)CC1
InChIInChI=1S/C20H21N3O3S/c24-19-14-16(15-4-1-2-5-17(15)26-19)21-7-8-22-9-11-23(12-10-22)20(25)18-6-3-13-27-18/h1-6,13-14,21H,7-12H2
InChIKeyWZYBJFBQHMNQHA-UHFFFAOYSA-N
XLogP2.72
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-(2-iodobenzoyl)piperazin-1-yl]ethylamino]chromen-2-one
CID 30342449
4-[2-[4-(3-methylbenzoyl)piperazin-1-yl]ethylamino]chromen-2-one
CID 30342397
4-[2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethylamino]chromen-2-one
CID 30342464
4-[2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethylamino]chromen-2-one
CID 30342538
4-[2-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]ethylamino]chromen-2-one
CID 30342689
4-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethylamino]chromen-2-one
CID 155549145
4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 18191731
7-methyl-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]chromen-2-one
CID 17399460
4-[3-(4-naphthalen-1-ylpiperazin-1-yl)propylamino]chromen-2-one;hydrochloride
CID 121417612
4-(2-aminoethylamino)chromen-2-one
CID 119085544
4-[3-[4-(3-methoxyisoquinolin-1-yl)piperazin-1-yl]propylamino]chromen-2-one
CID 155511431
N-[2-amino-3-[(2-oxochromen-4-yl)amino]propyl]-N-methylthiophene-2-carboxamide
CID 138461060

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethylamino]chromen-2-one?
The IUPAC name of 4-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethylamino]chromen-2-one (CID 30342629) is 4-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethylamino]chromen-2-one.
What is the SMILES notation for 4-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethylamino]chromen-2-one?
The canonical SMILES for 4-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethylamino]chromen-2-one is O=C(c1cccs1)N1CCN(CCNc2cc(=O)oc3ccccc23)CC1.
What is the InChIKey of 4-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethylamino]chromen-2-one?
The InChIKey is WZYBJFBQHMNQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c24-19-14-16(15-4-1-2-5-17(15)26-19)21-7-8-22-9-11-23(12-10-22)20(25)18-6-3-13-27-18/h1-6,13-14,21H,7-12H2.
What are the key properties of 4-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethylamino]chromen-2-one?
4-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethylamino]chromen-2-one has a molecular weight of 383.47 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethylamino]chromen-2-one is sourced from PubChem (CID 30342629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).