ethane;5-piperazin-1-yl-1-benzofuran-2-carboxamide

C15H21N3O2 — CID 144805378

IUPACethane;5-piperazin-1-yl-1-benzofuran-2-carboxamide
SMILESCC.NC(=O)c1cc2cc(N3CCNCC3)ccc2o1
InChIInChI=1S/C13H15N3O2.C2H6/c14-13(17)12-8-9-7-10(1-2-11(9)18-12)16-5-3-15-4-6-16;1-2/h1-2,7-8,15H,3-6H2,(H2,14,17);1-2H3
InChIKeyNXZHITATZBYKNQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.97
Rot. Bonds2

About ethane;5-piperazin-1-yl-1-benzofuran-2-carboxamide

ethane;5-piperazin-1-yl-1-benzofuran-2-carboxamide (PubChem CID 144805378) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethane;5-piperazin-1-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Nameethane;5-piperazin-1-yl-1-benzofuran-2-carboxamide
PubChem CID144805378
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Nameethane;5-piperazin-1-yl-1-benzofuran-2-carboxamide
SMILESCC.NC(=O)c1cc2cc(N3CCNCC3)ccc2o1
InChIInChI=1S/C13H15N3O2.C2H6/c14-13(17)12-8-9-7-10(1-2-11(9)18-12)16-5-3-15-4-6-16;1-2/h1-2,7-8,15H,3-6H2,(H2,14,17);1-2H3
InChIKeyNXZHITATZBYKNQ-UHFFFAOYSA-N
XLogP1.97
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-piperazin-1-yl-1-benzofuran-2-carboxamide
CID 22363059
tert-butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate
CID 11244883
3-(5-piperazin-1-yl-1-benzofuran-2-yl)propanoic acid
CID 174676765
piperazine;1-(6-piperazin-1-ylnaphthalen-2-yl)ethanone;hydrate
CID 159731714
1-(2-methyl-1-benzofuran-6-yl)piperazine
CID 82614048
5-piperazin-1-yl-1,2-benzoxazole
CID 82608582
(5-bromo-1-benzofuran-2-yl)-(1,4-diazepan-1-yl)methanone
CID 119414241
5-[4-[2-(5-cyano-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 58656079
1-(2-amino-5-piperazin-1-ylphenyl)ethanone
CID 104612700
(2S)-2-amino-2-(2-hydroxy-4-piperazin-1-ylphenyl)acetic acid
CID 66512719
tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-(4-tert-butylpiperazin-1-yl)-1-benzofuran-2-carboxamide;bis(carbon dioxide);1,5-dichloropentane;ethyl 5-amino-1-benzofuran-2-carboxylate;ethyl 5-(4-tert-butylpiperazin-1-yl)-1-benzofuran-2-carboxylate;ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylate;oxolane;5-piperazin-1-yl-1-benzofuran-2-carboxamide
CID 158322499
ethyl 5-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]-1-benzofuran-2-carboxylate
CID 118710572

Frequently Asked Questions

What is the IUPAC name of ethane;5-piperazin-1-yl-1-benzofuran-2-carboxamide?
The IUPAC name of ethane;5-piperazin-1-yl-1-benzofuran-2-carboxamide (CID 144805378) is ethane;5-piperazin-1-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for ethane;5-piperazin-1-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for ethane;5-piperazin-1-yl-1-benzofuran-2-carboxamide is CC.NC(=O)c1cc2cc(N3CCNCC3)ccc2o1.
What is the InChIKey of ethane;5-piperazin-1-yl-1-benzofuran-2-carboxamide?
The InChIKey is NXZHITATZBYKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2.C2H6/c14-13(17)12-8-9-7-10(1-2-11(9)18-12)16-5-3-15-4-6-16;1-2/h1-2,7-8,15H,3-6H2,(H2,14,17);1-2H3.
What are the key properties of ethane;5-piperazin-1-yl-1-benzofuran-2-carboxamide?
ethane;5-piperazin-1-yl-1-benzofuran-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-piperazin-1-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 144805378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).