1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone

C15H16ClNO2 — CID 114683163

IUPAC1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc3ccccc3o2)CCC1Cl
InChIInChI=1S/C15H16ClNO2/c1-10-9-17(7-6-12(10)16)15(18)14-8-11-4-2-3-5-13(11)19-14/h2-5,8,10,12H,6-7,9H2,1H3
InChIKeyKNBXKXIMOOZIBG-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.52
Rot. Bonds1

About 1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone

1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone (PubChem CID 114683163) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone
PubChem CID114683163
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc3ccccc3o2)CCC1Cl
InChIInChI=1S/C15H16ClNO2/c1-10-9-17(7-6-12(10)16)15(18)14-8-11-4-2-3-5-13(11)19-14/h2-5,8,10,12H,6-7,9H2,1H3
InChIKeyKNBXKXIMOOZIBG-UHFFFAOYSA-N
XLogP3.52
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
CID 119482537
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
CID 62063378
1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263992
1-benzofuran-2-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
CID 56818170
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193
1-benzofuran-2-yl-(3-bromopiperidin-1-yl)methanone
CID 80660959
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
CID 63755277
1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56818112
methyl (3S)-1-(1-benzofuran-2-carbonyl)piperidine-3-carboxylate
CID 78919420
1-benzofuran-2-yl-[2-(chloromethyl)morpholin-4-yl]methanone
CID 81210335

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone (CID 114683163) is 1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone is CC1CN(C(=O)c2cc3ccccc3o2)CCC1Cl.
What is the InChIKey of 1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone?
The InChIKey is KNBXKXIMOOZIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-10-9-17(7-6-12(10)16)15(18)14-8-11-4-2-3-5-13(11)19-14/h2-5,8,10,12H,6-7,9H2,1H3.
What are the key properties of 1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone?
1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone has a molecular weight of 277.75 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 114683163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).