3-(4-acetylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]indolizine-6-carboxamide

C24H28N4O3 — CID 97447981

IUPAC3-(4-acetylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]indolizine-6-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc3ccc(N4CCN(C(C)=O)CC4)n3c2)c1
InChIInChI=1S/C24H28N4O3/c1-18(29)26-12-14-27(15-13-26)23-9-8-21-7-6-20(17-28(21)23)24(30)25-11-10-19-4-3-5-22(16-19)31-2/h3-9,16-17H,10-15H2,1-2H3,(H,25,30)
InChIKeyWLNQHKQWMCLOQW-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.59
Rot. Bonds6

About 3-(4-acetylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]indolizine-6-carboxamide

3-(4-acetylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]indolizine-6-carboxamide (PubChem CID 97447981) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]indolizine-6-carboxamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]indolizine-6-carboxamide
PubChem CID97447981
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name3-(4-acetylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]indolizine-6-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc3ccc(N4CCN(C(C)=O)CC4)n3c2)c1
InChIInChI=1S/C24H28N4O3/c1-18(29)26-12-14-27(15-13-26)23-9-8-21-7-6-20(17-28(21)23)24(30)25-11-10-19-4-3-5-22(16-19)31-2/h3-9,16-17H,10-15H2,1-2H3,(H,25,30)
InChIKeyWLNQHKQWMCLOQW-UHFFFAOYSA-N
XLogP2.59
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-acetylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide
CID 97447966
3-(4-acetylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide
CID 97447978
N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
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CID 109044244
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
3-(4-formylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 109053769
N-[2-(3-methoxyphenyl)ethyl]furan-3-carboxamide
CID 47041893
N-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230262
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520
3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107980616
1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048051

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]indolizine-6-carboxamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]indolizine-6-carboxamide (CID 97447981) is 3-(4-acetylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]indolizine-6-carboxamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]indolizine-6-carboxamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]indolizine-6-carboxamide is COc1cccc(CCNC(=O)c2ccc3ccc(N4CCN(C(C)=O)CC4)n3c2)c1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]indolizine-6-carboxamide?
The InChIKey is WLNQHKQWMCLOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-18(29)26-12-14-27(15-13-26)23-9-8-21-7-6-20(17-28(21)23)24(30)25-11-10-19-4-3-5-22(16-19)31-2/h3-9,16-17H,10-15H2,1-2H3,(H,25,30).
What are the key properties of 3-(4-acetylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]indolizine-6-carboxamide?
3-(4-acetylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]indolizine-6-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]indolizine-6-carboxamide is sourced from PubChem (CID 97447981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).