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

C11H14ClNO2 — CID 106685117

IUPAC(2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccoc2Cl)CC1
InChIInChI=1S/C11H14ClNO2/c1-8-2-5-13(6-3-8)11(14)9-4-7-15-10(9)12/h4,7-8H,2-3,5-6H2,1H3
InChIKeyVBKFPSQNUPJLKC-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.81
Rot. Bonds1

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

(2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 106685117) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID106685117
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccoc2Cl)CC1
InChIInChI=1S/C11H14ClNO2/c1-8-2-5-13(6-3-8)11(14)9-4-7-15-10(9)12/h4,7-8H,2-3,5-6H2,1H3
InChIKeyVBKFPSQNUPJLKC-UHFFFAOYSA-N
XLogP2.81
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 106685458
(2-chlorofuran-3-yl)-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 106690201
(2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 106686990
(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
3-[1-(2-chlorofuran-3-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 106683480
(2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 106853680
(2-chlorofuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 106686399
(2-chlorofuran-3-yl)-(3-methoxypiperidin-1-yl)methanone
CID 106687373
1-(2-chlorofuran-3-carbonyl)azetidine-3-carboxylic acid
CID 106683486

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone (CID 106685117) is (2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccoc2Cl)CC1.
What is the InChIKey of (2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is VBKFPSQNUPJLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-8-2-5-13(6-3-8)11(14)9-4-7-15-10(9)12/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of (2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone?
(2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 227.69 g/mol, XLogP of 2.81, 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-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 106685117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).