N-methyl-5-piperazin-1-yl-1-benzofuran-2-carboxamide

C14H17N3O2 — CID 22363059

IUPACN-methyl-5-piperazin-1-yl-1-benzofuran-2-carboxamide
SMILESCNC(=O)c1cc2cc(N3CCNCC3)ccc2o1
InChIInChI=1S/C14H17N3O2/c1-15-14(18)13-9-10-8-11(2-3-12(10)19-13)17-6-4-16-5-7-17/h2-3,8-9,16H,4-7H2,1H3,(H,15,18)
InChIKeyNWWMTSKDJUNTIJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.20
Rot. Bonds2

About N-methyl-5-piperazin-1-yl-1-benzofuran-2-carboxamide

N-methyl-5-piperazin-1-yl-1-benzofuran-2-carboxamide (PubChem CID 22363059) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-methyl-5-piperazin-1-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-piperazin-1-yl-1-benzofuran-2-carboxamide
PubChem CID22363059
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-methyl-5-piperazin-1-yl-1-benzofuran-2-carboxamide
SMILESCNC(=O)c1cc2cc(N3CCNCC3)ccc2o1
InChIInChI=1S/C14H17N3O2/c1-15-14(18)13-9-10-8-11(2-3-12(10)19-13)17-6-4-16-5-7-17/h2-3,8-9,16H,4-7H2,1H3,(H,15,18)
InChIKeyNWWMTSKDJUNTIJ-UHFFFAOYSA-N
XLogP1.20
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;5-piperazin-1-yl-1-benzofuran-2-carboxamide
CID 144805378
3-(5-piperazin-1-yl-1-benzofuran-2-yl)propanoic acid
CID 174676765
2-fluoro-N-methyl-4-piperazin-1-ylbenzamide
CID 133083293
5-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1-benzofuran-2-carboxamide
CID 58456844
5-piperazin-1-yl-1,2-benzoxazole
CID 82608582
N-methylfuro[2,3-f][1,3]benzodioxole-6-carboxamide
CID 139623375
tert-butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate
CID 11244883
piperazine;1-(6-piperazin-1-ylnaphthalen-2-yl)ethanone;hydrate
CID 159731714
1-(2-methyl-1-benzofuran-6-yl)piperazine
CID 82614048
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide
CID 10163876
1-(2-amino-5-piperazin-1-ylphenyl)ethanone
CID 104612700
N,6-dimethyl-2-piperazin-1-ylpyrimidine-4-carboxamide
CID 82044208

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-piperazin-1-yl-1-benzofuran-2-carboxamide?
The IUPAC name of N-methyl-5-piperazin-1-yl-1-benzofuran-2-carboxamide (CID 22363059) is N-methyl-5-piperazin-1-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-methyl-5-piperazin-1-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-methyl-5-piperazin-1-yl-1-benzofuran-2-carboxamide is CNC(=O)c1cc2cc(N3CCNCC3)ccc2o1.
What is the InChIKey of N-methyl-5-piperazin-1-yl-1-benzofuran-2-carboxamide?
The InChIKey is NWWMTSKDJUNTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-15-14(18)13-9-10-8-11(2-3-12(10)19-13)17-6-4-16-5-7-17/h2-3,8-9,16H,4-7H2,1H3,(H,15,18).
What are the key properties of N-methyl-5-piperazin-1-yl-1-benzofuran-2-carboxamide?
N-methyl-5-piperazin-1-yl-1-benzofuran-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-piperazin-1-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 22363059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).