(2-chlorofuran-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone

C12H17ClN2O2 — CID 106688448

IUPAC(2-chlorofuran-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2ccoc2Cl)C1
InChIInChI=1S/C12H17ClN2O2/c1-14-7-9-3-2-5-15(8-9)12(16)10-4-6-17-11(10)13/h4,6,9,14H,2-3,5,7-8H2,1H3
InChIKeyWHRMPBGZRYYPQB-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.00
Rot. Bonds3

About (2-chlorofuran-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone

(2-chlorofuran-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 106688448) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID106688448
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name(2-chlorofuran-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2ccoc2Cl)C1
InChIInChI=1S/C12H17ClN2O2/c1-14-7-9-3-2-5-15(8-9)12(16)10-4-6-17-11(10)13/h4,6,9,14H,2-3,5,7-8H2,1H3
InChIKeyWHRMPBGZRYYPQB-UHFFFAOYSA-N
XLogP2.00
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorofuran-3-yl)-[2-(methylaminomethyl)morpholin-4-yl]methanone
CID 106688583
(2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204735
(4-chloro-2-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204723
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
(2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205270
(4-chloro-2-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395341
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
[3-(methylaminomethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
CID 107024092
(3-hydroxy-4-pyridinyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 81442707
[3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753585
(2-hydroxy-5-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107732049
N-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 106853554

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-chlorofuran-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (CID 106688448) is (2-chlorofuran-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCN(C(=O)c2ccoc2Cl)C1.
What is the InChIKey of (2-chlorofuran-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is WHRMPBGZRYYPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-14-7-9-3-2-5-15(8-9)12(16)10-4-6-17-11(10)13/h4,6,9,14H,2-3,5,7-8H2,1H3.
What are the key properties of (2-chlorofuran-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
(2-chlorofuran-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 256.73 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 106688448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).