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

C11H13Cl2NO2 — CID 106690201

IUPAC(2-chlorofuran-3-yl)-(4-chloro-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccoc2Cl)CCC1Cl
InChIInChI=1S/C11H13Cl2NO2/c1-7-6-14(4-2-9(7)12)11(15)8-3-5-16-10(8)13/h3,5,7,9H,2,4,6H2,1H3
InChIKeyRPUAYBFSJBLEPG-UHFFFAOYSA-N
MW262.14 g/mol
LogP3.02
Rot. Bonds1

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

(2-chlorofuran-3-yl)-(4-chloro-3-methylpiperidin-1-yl)methanone (PubChem CID 106690201) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(4-chloro-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(4-chloro-3-methylpiperidin-1-yl)methanone
PubChem CID106690201
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name(2-chlorofuran-3-yl)-(4-chloro-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccoc2Cl)CCC1Cl
InChIInChI=1S/C11H13Cl2NO2/c1-7-6-14(4-2-9(7)12)11(15)8-3-5-16-10(8)13/h3,5,7,9H,2,4,6H2,1H3
InChIKeyRPUAYBFSJBLEPG-UHFFFAOYSA-N
XLogP3.02
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 53.02
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

(2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 106686990
(2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 106685117
(3-bromopyrrolidin-1-yl)-(2-chlorofuran-3-yl)methanone
CID 106689942
(2-chlorofuran-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 106687354
(2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 106683662
(4-amino-3-ethylpiperidin-1-yl)-(2-chlorofuran-3-yl)methanone
CID 106688582
(2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 106685458
(2-chlorofuran-3-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 106687066
(2-bromofuran-3-yl)-(3-chloro-4-methylpiperidin-1-yl)methanone
CID 106856247
(4-chloro-3-methylpiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 114683136
(2-chloro-4-methylphenyl)-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 106864067
(2-chlorofuran-3-yl)-(3-methoxypiperidin-1-yl)methanone
CID 106687373

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-(4-chloro-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-chlorofuran-3-yl)-(4-chloro-3-methylpiperidin-1-yl)methanone (CID 106690201) is (2-chlorofuran-3-yl)-(4-chloro-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-(4-chloro-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-(4-chloro-3-methylpiperidin-1-yl)methanone is CC1CN(C(=O)c2ccoc2Cl)CCC1Cl.
What is the InChIKey of (2-chlorofuran-3-yl)-(4-chloro-3-methylpiperidin-1-yl)methanone?
The InChIKey is RPUAYBFSJBLEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-7-6-14(4-2-9(7)12)11(15)8-3-5-16-10(8)13/h3,5,7,9H,2,4,6H2,1H3.
What are the key properties of (2-chlorofuran-3-yl)-(4-chloro-3-methylpiperidin-1-yl)methanone?
(2-chlorofuran-3-yl)-(4-chloro-3-methylpiperidin-1-yl)methanone has a molecular weight of 262.14 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-(4-chloro-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 106690201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).