5-chloro-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide

C17H21ClN2O2 — CID 58945427

IUPAC5-chloro-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H21ClN2O2/c18-14-5-6-15-13(11-14)12-16(22-15)17(21)19-7-4-10-20-8-2-1-3-9-20/h5-6,11-12H,1-4,7-10H2,(H,19,21)
InChIKeyQBPFZPKEJBZHCY-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.69
Rot. Bonds5

About 5-chloro-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide

5-chloro-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide (PubChem CID 58945427) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 5-chloro-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide
PubChem CID58945427
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name5-chloro-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H21ClN2O2/c18-14-5-6-15-13(11-14)12-16(22-15)17(21)19-7-4-10-20-8-2-1-3-9-20/h5-6,11-12H,1-4,7-10H2,(H,19,21)
InChIKeyQBPFZPKEJBZHCY-UHFFFAOYSA-N
XLogP3.69
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(azepan-1-yl)propyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide
CID 20853912
2-(5-chloro-1-benzofuran-2-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 123198555
2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide
CID 110440779
5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide
CID 9327354
5-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-benzofuran-2-carboxamide
CID 111464277
4-chloro-2-nitro-N-(3-piperidin-1-ylpropyl)benzamide
CID 43020133
5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94885064
5-chloro-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 19240931
6-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-oxochromene-2-carboxamide
CID 9473761
(5-chloro-1-benzofuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 71944079
5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
CID 51219508
2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168459

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide (CID 58945427) is 5-chloro-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide is O=C(NCCCN1CCCCC1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide?
The InChIKey is QBPFZPKEJBZHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c18-14-5-6-15-13(11-14)12-16(22-15)17(21)19-7-4-10-20-8-2-1-3-9-20/h5-6,11-12H,1-4,7-10H2,(H,19,21).
What are the key properties of 5-chloro-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide?
5-chloro-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide has a molecular weight of 320.82 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 58945427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).