(2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-yl]methanone

C12H17ClN2O2 — CID 106685458

IUPAC(2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccoc2Cl)CC1
InChIInChI=1S/C12H17ClN2O2/c1-14(2)9-3-6-15(7-4-9)12(16)10-5-8-17-11(10)13/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyMZTOAESDULRYAK-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.10
Rot. Bonds2

About (2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-yl]methanone

(2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 106685458) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
PubChem CID106685458
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name(2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccoc2Cl)CC1
InChIInChI=1S/C12H17ClN2O2/c1-14(2)9-3-6-15(7-4-9)12(16)10-5-8-17-11(10)13/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyMZTOAESDULRYAK-UHFFFAOYSA-N
XLogP2.10
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-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

(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)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 106687066
(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
(4-amino-3-ethylpiperidin-1-yl)-(2-chlorofuran-3-yl)methanone
CID 106688582
(2-chlorofuran-3-yl)-(3-methoxypiperidin-1-yl)methanone
CID 106687373
(2-chlorofuran-3-yl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 106686764
(2-chlorofuran-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 106687354
3-[1-(2-chlorofuran-3-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 106683480
(2-chlorofuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 106686399
(2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 106683662

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of (2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-yl]methanone (CID 106685458) is (2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCN(C(=O)c2ccoc2Cl)CC1.
What is the InChIKey of (2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is MZTOAESDULRYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-14(2)9-3-6-15(7-4-9)12(16)10-5-8-17-11(10)13/h5,8-9H,3-4,6-7H2,1-2H3.
What are the key properties of (2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-yl]methanone?
(2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 256.73 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 106685458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).