5-ethyl-N,N-dimethyl-7-piperazin-1-yl-1-benzofuran-2-carboxamide

C17H23N3O2 — CID 176933495

IUPAC5-ethyl-N,N-dimethyl-7-piperazin-1-yl-1-benzofuran-2-carboxamide
SMILESCCc1cc(N2CCNCC2)c2oc(C(=O)N(C)C)cc2c1
InChIInChI=1S/C17H23N3O2/c1-4-12-9-13-11-15(17(21)19(2)3)22-16(13)14(10-12)20-7-5-18-6-8-20/h9-11,18H,4-8H2,1-3H3
InChIKeySPYBOUKDGYZBPT-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.11
Rot. Bonds3

About 5-ethyl-N,N-dimethyl-7-piperazin-1-yl-1-benzofuran-2-carboxamide

5-ethyl-N,N-dimethyl-7-piperazin-1-yl-1-benzofuran-2-carboxamide (PubChem CID 176933495) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-ethyl-N,N-dimethyl-7-piperazin-1-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N,N-dimethyl-7-piperazin-1-yl-1-benzofuran-2-carboxamide
PubChem CID176933495
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name5-ethyl-N,N-dimethyl-7-piperazin-1-yl-1-benzofuran-2-carboxamide
SMILESCCc1cc(N2CCNCC2)c2oc(C(=O)N(C)C)cc2c1
InChIInChI=1S/C17H23N3O2/c1-4-12-9-13-11-15(17(21)19(2)3)22-16(13)14(10-12)20-7-5-18-6-8-20/h9-11,18H,4-8H2,1-3H3
InChIKeySPYBOUKDGYZBPT-UHFFFAOYSA-N
XLogP2.11
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-8-piperazin-1-ylquinoline-6-carboxamide
CID 18414144
3-(methanesulfonamido)-N,N-dimethyl-4-piperazin-1-ylbenzamide
CID 46333263
6-fluoro-4-oxo-8-piperazin-1-ylchromene-2-carboxylic acid
CID 22142224
1-(2-bromo-4-ethylphenyl)piperazine
CID 84712435
N,N-dimethyl-3-piperazin-1-ylbenzamide;dihydrochloride
CID 138393542
5-ethyl-3-piperazin-1-ylpyridine-2-carbonitrile
CID 167443488
N,N-dimethyl-5-[1-[3-(3-methyl-2H-triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-7-piperidin-4-yl-1-benzofuran-2-carboxamide
CID 177170560
3-ethyl-5-piperazin-1-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 118527457
1-(3-ethyl-5-fluorophenyl)piperazine
CID 84780261
1-phenyl-3-(7-piperazin-1-yl-1-benzofuran-5-yl)urea
CID 66893590
ethane;5-piperazin-1-yl-1-benzofuran-2-carboxamide
CID 144805378
(4-methyl-3-piperazin-1-ylphenyl)methanol
CID 84779191

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,N-dimethyl-7-piperazin-1-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-ethyl-N,N-dimethyl-7-piperazin-1-yl-1-benzofuran-2-carboxamide (CID 176933495) is 5-ethyl-N,N-dimethyl-7-piperazin-1-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-ethyl-N,N-dimethyl-7-piperazin-1-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-ethyl-N,N-dimethyl-7-piperazin-1-yl-1-benzofuran-2-carboxamide is CCc1cc(N2CCNCC2)c2oc(C(=O)N(C)C)cc2c1.
What is the InChIKey of 5-ethyl-N,N-dimethyl-7-piperazin-1-yl-1-benzofuran-2-carboxamide?
The InChIKey is SPYBOUKDGYZBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-12-9-13-11-15(17(21)19(2)3)22-16(13)14(10-12)20-7-5-18-6-8-20/h9-11,18H,4-8H2,1-3H3.
What are the key properties of 5-ethyl-N,N-dimethyl-7-piperazin-1-yl-1-benzofuran-2-carboxamide?
5-ethyl-N,N-dimethyl-7-piperazin-1-yl-1-benzofuran-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,N-dimethyl-7-piperazin-1-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 176933495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).