4-[2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethylamino]chromen-2-one

C24H27N3O5 — CID 30342538

IUPAC4-[2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethylamino]chromen-2-one
SMILESCOc1cc(OC)cc(C(=O)N2CCN(CCNc3cc(=O)oc4ccccc34)CC2)c1
InChIInChI=1S/C24H27N3O5/c1-30-18-13-17(14-19(15-18)31-2)24(29)27-11-9-26(10-12-27)8-7-25-21-16-23(28)32-22-6-4-3-5-20(21)22/h3-6,13-16,25H,7-12H2,1-2H3
InChIKeyROMDZIPVFJIEFK-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.68
Rot. Bonds7

About 4-[2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethylamino]chromen-2-one

4-[2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethylamino]chromen-2-one (PubChem CID 30342538) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is 4-[2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethylamino]chromen-2-one.

Molecular Properties

Compound Name4-[2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethylamino]chromen-2-one
PubChem CID30342538
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Name4-[2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethylamino]chromen-2-one
SMILESCOc1cc(OC)cc(C(=O)N2CCN(CCNc3cc(=O)oc4ccccc34)CC2)c1
InChIInChI=1S/C24H27N3O5/c1-30-18-13-17(14-19(15-18)31-2)24(29)27-11-9-26(10-12-27)8-7-25-21-16-23(28)32-22-6-4-3-5-20(21)22/h3-6,13-16,25H,7-12H2,1-2H3
InChIKeyROMDZIPVFJIEFK-UHFFFAOYSA-N
XLogP2.68
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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-(thiophene-2-carbonyl)piperazin-1-yl]ethylamino]chromen-2-one
CID 30342629
4-[2-[4-(2-iodobenzoyl)piperazin-1-yl]ethylamino]chromen-2-one
CID 30342449
4-[2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]ethylamino]chromen-2-one
CID 30342488
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-[3-[4-(3-methoxyisoquinolin-1-yl)piperazin-1-yl]propylamino]chromen-2-one
CID 155511431
(2S)-2-(1H-indol-3-yl)-2-[4-[2-[(2-oxochromen-4-yl)amino]ethyl]piperazin-1-yl]acetic acid
CID 39039003
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 997989
4-[3-(4-naphthalen-1-ylpiperazin-1-yl)propylamino]chromen-2-one;hydrochloride
CID 121417612
N-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 41136212

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethylamino]chromen-2-one?
The IUPAC name of 4-[2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethylamino]chromen-2-one (CID 30342538) is 4-[2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethylamino]chromen-2-one.
What is the SMILES notation for 4-[2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethylamino]chromen-2-one?
The canonical SMILES for 4-[2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethylamino]chromen-2-one is COc1cc(OC)cc(C(=O)N2CCN(CCNc3cc(=O)oc4ccccc34)CC2)c1.
What is the InChIKey of 4-[2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethylamino]chromen-2-one?
The InChIKey is ROMDZIPVFJIEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-30-18-13-17(14-19(15-18)31-2)24(29)27-11-9-26(10-12-27)8-7-25-21-16-23(28)32-22-6-4-3-5-20(21)22/h3-6,13-16,25H,7-12H2,1-2H3.
What are the key properties of 4-[2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethylamino]chromen-2-one?
4-[2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethylamino]chromen-2-one has a molecular weight of 437.50 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethylamino]chromen-2-one is sourced from PubChem (CID 30342538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).