(7-chloro-1-benzofuran-2-yl)-(3-methylpiperidin-3-yl)methanone

C15H16ClNO2 — CID 114736552

IUPAC(7-chloro-1-benzofuran-2-yl)-(3-methylpiperidin-3-yl)methanone
SMILESCC1(C(=O)c2cc3cccc(Cl)c3o2)CCCNC1
InChIInChI=1S/C15H16ClNO2/c1-15(6-3-7-17-9-15)14(18)12-8-10-4-2-5-11(16)13(10)19-12/h2,4-5,8,17H,3,6-7,9H2,1H3
InChIKeyWEJSQJAQJLGIRV-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.66
Rot. Bonds2

About (7-chloro-1-benzofuran-2-yl)-(3-methylpiperidin-3-yl)methanone

(7-chloro-1-benzofuran-2-yl)-(3-methylpiperidin-3-yl)methanone (PubChem CID 114736552) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(3-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(3-methylpiperidin-3-yl)methanone
PubChem CID114736552
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(3-methylpiperidin-3-yl)methanone
SMILESCC1(C(=O)c2cc3cccc(Cl)c3o2)CCCNC1
InChIInChI=1S/C15H16ClNO2/c1-15(6-3-7-17-9-15)14(18)12-8-10-4-2-5-11(16)13(10)19-12/h2,4-5,8,17H,3,6-7,9H2,1H3
InChIKeyWEJSQJAQJLGIRV-UHFFFAOYSA-N
XLogP3.66
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7-chloro-1-benzofuran-2-yl)-(3-methylpiperidin-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzofuran-2-yl-(3-methylpiperidin-3-yl)methanone
CID 114736550
(7-chloro-1-benzofuran-2-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982166
1-(7-chloro-1-benzofuran-2-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 114725597
(7-fluoro-1-benzofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone
CID 114736767
2-[1-(aminomethyl)cyclohexyl]-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114737415
7-chloro-N-methyl-1-benzofuran-2-carboxamide
CID 84586183
2-(azetidin-3-yl)-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114736812
2-[1-(aminomethyl)cyclobutyl]-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114737144
(1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 114736196
N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63130190
N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide
CID 63132655
(2-amino-5-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 114737213

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(3-methylpiperidin-3-yl)methanone?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(3-methylpiperidin-3-yl)methanone (CID 114736552) is (7-chloro-1-benzofuran-2-yl)-(3-methylpiperidin-3-yl)methanone.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(3-methylpiperidin-3-yl)methanone?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(3-methylpiperidin-3-yl)methanone is CC1(C(=O)c2cc3cccc(Cl)c3o2)CCCNC1.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(3-methylpiperidin-3-yl)methanone?
The InChIKey is WEJSQJAQJLGIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-15(6-3-7-17-9-15)14(18)12-8-10-4-2-5-11(16)13(10)19-12/h2,4-5,8,17H,3,6-7,9H2,1H3.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(3-methylpiperidin-3-yl)methanone?
(7-chloro-1-benzofuran-2-yl)-(3-methylpiperidin-3-yl)methanone has a molecular weight of 277.75 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-benzofuran-2-yl)-(3-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 114736552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).