1-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone

C24H27N3O3 — CID 174727611

IUPAC1-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone
SMILESNCc1ccccc1N1CCN(C(=O)Cc2coc3cc4c(cc23)CCCO4)CC1
InChIInChI=1S/C24H27N3O3/c25-15-18-4-1-2-6-21(18)26-7-9-27(10-8-26)24(28)13-19-16-30-23-14-22-17(12-20(19)23)5-3-11-29-22/h1-2,4,6,12,14,16H,3,5,7-11,13,15,25H2
InChIKeyODFPLNOLJUALHJ-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.11
Rot. Bonds4

About 1-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone

1-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone (PubChem CID 174727611) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone
PubChem CID174727611
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name1-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone
SMILESNCc1ccccc1N1CCN(C(=O)Cc2coc3cc4c(cc23)CCCO4)CC1
InChIInChI=1S/C24H27N3O3/c25-15-18-4-1-2-6-21(18)26-7-9-27(10-8-26)24(28)13-19-16-30-23-14-22-17(12-20(19)23)5-3-11-29-22/h1-2,4,6,12,14,16H,3,5,7-11,13,15,25H2
InChIKeyODFPLNOLJUALHJ-UHFFFAOYSA-N
XLogP3.11
TPSA71.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone
CID 174727624
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone
CID 174727608
2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)acetic acid
CID 172805851
2-(3,4-dihydro-2H-chromen-6-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 110771138
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
CID 18872277
2-(5-fluoro-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 18860190
2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 18860278
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone;hydrochloride
CID 120744335
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 78771248
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 7922202
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone
CID 136512937
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone
CID 119410925

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone?
The IUPAC name of 1-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone (CID 174727611) is 1-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone.
What is the SMILES notation for 1-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone?
The canonical SMILES for 1-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone is NCc1ccccc1N1CCN(C(=O)Cc2coc3cc4c(cc23)CCCO4)CC1.
What is the InChIKey of 1-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone?
The InChIKey is ODFPLNOLJUALHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c25-15-18-4-1-2-6-21(18)26-7-9-27(10-8-26)24(28)13-19-16-30-23-14-22-17(12-20(19)23)5-3-11-29-22/h1-2,4,6,12,14,16H,3,5,7-11,13,15,25H2.
What are the key properties of 1-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone?
1-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone has a molecular weight of 405.50 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone is sourced from PubChem (CID 174727611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).