5-piperazin-1-yl-3a,7a-dihydro-1-benzofuran-2-carboxamide

C13H17N3O2 — CID 143968972

IUPAC5-piperazin-1-yl-3a,7a-dihydro-1-benzofuran-2-carboxamide
SMILESNC(=O)C1=CC2C=C(N3CCNCC3)C=CC2O1
InChIInChI=1S/C13H17N3O2/c14-13(17)12-8-9-7-10(1-2-11(9)18-12)16-5-3-15-4-6-16/h1-2,7-9,11,15H,3-6H2,(H2,14,17)
InChIKeyPWPNCFSPEDWKAH-UHFFFAOYSA-N
MW247.30 g/mol
LogP-0.27
Rot. Bonds2

About 5-piperazin-1-yl-3a,7a-dihydro-1-benzofuran-2-carboxamide

5-piperazin-1-yl-3a,7a-dihydro-1-benzofuran-2-carboxamide (PubChem CID 143968972) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-piperazin-1-yl-3a,7a-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-piperazin-1-yl-3a,7a-dihydro-1-benzofuran-2-carboxamide
PubChem CID143968972
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-piperazin-1-yl-3a,7a-dihydro-1-benzofuran-2-carboxamide
SMILESNC(=O)C1=CC2C=C(N3CCNCC3)C=CC2O1
InChIInChI=1S/C13H17N3O2/c14-13(17)12-8-9-7-10(1-2-11(9)18-12)16-5-3-15-4-6-16/h1-2,7-9,11,15H,3-6H2,(H2,14,17)
InChIKeyPWPNCFSPEDWKAH-UHFFFAOYSA-N
XLogP-0.27
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide;hydrochloride
CID 172609759
4-(1,4-diazepan-1-yl)benzamide;hydrochloride
CID 68552362
4-(3-methylbutyl)-6-piperazin-1-ylpyridazine-3-carboxamide
CID 172799928
2-carbamoyl-3-piperazin-1-ylbenzoic acid
CID 172739762
5-chloro-2-piperazin-1-ylbenzamide
CID 62494814
ethane;5-piperazin-1-yl-1-benzofuran-2-carboxamide
CID 144805378
2-[(Z)-1-(4-methylimidazol-1-yl)prop-1-enyl]phosphanyl-5-piperazin-1-yl-2H-pyridine-1-carbaldehyde
CID 145199985
3,4-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 175207063
2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide
CID 177356020
3-(2-chloroethyl)-4-piperazin-1-ylbenzamide
CID 91535431
2,6-dimethyl-4-piperazin-1-ylpyridine-3-carboxamide
CID 81050845
4-(2-piperazin-1-ylpyrimidin-5-yl)benzamide
CID 135146176

Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-yl-3a,7a-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-piperazin-1-yl-3a,7a-dihydro-1-benzofuran-2-carboxamide (CID 143968972) is 5-piperazin-1-yl-3a,7a-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-piperazin-1-yl-3a,7a-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-piperazin-1-yl-3a,7a-dihydro-1-benzofuran-2-carboxamide is NC(=O)C1=CC2C=C(N3CCNCC3)C=CC2O1.
What is the InChIKey of 5-piperazin-1-yl-3a,7a-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is PWPNCFSPEDWKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-13(17)12-8-9-7-10(1-2-11(9)18-12)16-5-3-15-4-6-16/h1-2,7-9,11,15H,3-6H2,(H2,14,17).
What are the key properties of 5-piperazin-1-yl-3a,7a-dihydro-1-benzofuran-2-carboxamide?
5-piperazin-1-yl-3a,7a-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yl-3a,7a-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 143968972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).