1-(2-chlorofuran-3-carbonyl)-N-methylpiperidine-2-carboxamide

C12H15ClN2O3 — CID 106686290

IUPAC1-(2-chlorofuran-3-carbonyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)c1ccoc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-14-11(16)9-4-2-3-6-15(9)12(17)8-5-7-18-10(8)13/h5,7,9H,2-4,6H2,1H3,(H,14,16)
InChIKeyZANULMJXHRYYRC-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.67
Rot. Bonds2

About 1-(2-chlorofuran-3-carbonyl)-N-methylpiperidine-2-carboxamide

1-(2-chlorofuran-3-carbonyl)-N-methylpiperidine-2-carboxamide (PubChem CID 106686290) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-carbonyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-chlorofuran-3-carbonyl)-N-methylpiperidine-2-carboxamide
PubChem CID106686290
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name1-(2-chlorofuran-3-carbonyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)c1ccoc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-14-11(16)9-4-2-3-6-15(9)12(17)8-5-7-18-10(8)13/h5,7,9H,2-4,6H2,1H3,(H,14,16)
InChIKeyZANULMJXHRYYRC-UHFFFAOYSA-N
XLogP1.67
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid
CID 106683530
1-(2-chlorofuran-3-carbonyl)pyrrolidine-2-carboxamide
CID 106685344
1-(2-chloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 61052177
(2-chlorofuran-3-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 112748131
(2-chlorofuran-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 106685775
1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61114622
1-(5-chloro-2-iodobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 113231971
1-(2-amino-4-bromobenzoyl)-N-methylpiperidine-2-carboxamide
CID 79719629
1-(5,6-dichloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 60749477
1-(2-amino-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide
CID 63110168
1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride
CID 120622455
1-(2,6-dichloropyridine-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 61053437

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-carbonyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(2-chlorofuran-3-carbonyl)-N-methylpiperidine-2-carboxamide (CID 106686290) is 1-(2-chlorofuran-3-carbonyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(2-chlorofuran-3-carbonyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(2-chlorofuran-3-carbonyl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1C(=O)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-carbonyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is ZANULMJXHRYYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-14-11(16)9-4-2-3-6-15(9)12(17)8-5-7-18-10(8)13/h5,7,9H,2-4,6H2,1H3,(H,14,16).
What are the key properties of 1-(2-chlorofuran-3-carbonyl)-N-methylpiperidine-2-carboxamide?
1-(2-chlorofuran-3-carbonyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-carbonyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 106686290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).