3-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]chromen-2-one

C23H24N2O4 — CID 171388252

IUPAC3-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]chromen-2-one
SMILESCOCCN1CCN(C(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)CC1
InChIInChI=1S/C23H24N2O4/c1-28-14-13-24-9-11-25(12-10-24)22(26)19-7-4-6-17(15-19)20-16-18-5-2-3-8-21(18)29-23(20)27/h2-8,15-16H,9-14H2,1H3
InChIKeyLSTYEPDYAKRWMF-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.86
Rot. Bonds5

About 3-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]chromen-2-one

3-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]chromen-2-one (PubChem CID 171388252) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]chromen-2-one.

Molecular Properties

Compound Name3-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]chromen-2-one
PubChem CID171388252
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name3-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]chromen-2-one
SMILESCOCCN1CCN(C(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)CC1
InChIInChI=1S/C23H24N2O4/c1-28-14-13-24-9-11-25(12-10-24)22(26)19-7-4-6-17(15-19)20-16-18-5-2-3-8-21(18)29-23(20)27/h2-8,15-16H,9-14H2,1H3
InChIKeyLSTYEPDYAKRWMF-UHFFFAOYSA-N
XLogP2.86
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[4-(1-hydroxypropyl)piperidine-1-carbonyl]phenyl]chromen-2-one
CID 171385946
3-[3-(3-methoxypiperidine-1-carbonyl)phenyl]chromen-2-one
CID 171389799
8-[3-(2-oxochromen-3-yl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 171907092
acetic acid;3-[3-(3-methylpiperazine-1-carbonyl)phenyl]chromen-2-one
CID 172897042
3-[3-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]chromen-2-one
CID 95216159
3-methyl-9-[3-(2-oxochromen-3-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 171912914
3-[3-[(3S)-3-aminopiperidine-1-carbonyl]phenyl]chromen-2-one
CID 171914664
3-[3-[(3S)-3-ethylmorpholine-4-carbonyl]phenyl]chromen-2-one
CID 171908503
3-[3-(3-amino-1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]chromen-2-one
CID 171910561
N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3-(2-oxochromen-3-yl)benzamide
CID 17050042
N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-(2-oxochromen-3-yl)benzamide
CID 171914835
N-ethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxochromen-3-yl)benzamide
CID 171909408

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]chromen-2-one?
The IUPAC name of 3-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]chromen-2-one (CID 171388252) is 3-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]chromen-2-one.
What is the SMILES notation for 3-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]chromen-2-one?
The canonical SMILES for 3-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]chromen-2-one is COCCN1CCN(C(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)CC1.
What is the InChIKey of 3-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]chromen-2-one?
The InChIKey is LSTYEPDYAKRWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-28-14-13-24-9-11-25(12-10-24)22(26)19-7-4-6-17(15-19)20-16-18-5-2-3-8-21(18)29-23(20)27/h2-8,15-16H,9-14H2,1H3.
What are the key properties of 3-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]chromen-2-one?
3-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]chromen-2-one has a molecular weight of 392.46 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]chromen-2-one is sourced from PubChem (CID 171388252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).