(3,5-dimethylfuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

C13H21ClN2O2 — CID 119560716

IUPAC(3,5-dimethylfuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2oc(C)cc2C)CC1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-9-8-10(2)17-12(9)13(16)15-6-4-11(14-3)5-7-15;/h8,11,14H,4-7H2,1-3H3;1H
InChIKeyAUYPCWFFBUIPJO-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.14
Rot. Bonds2

About (3,5-dimethylfuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

(3,5-dimethylfuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119560716) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is (3,5-dimethylfuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3,5-dimethylfuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119560716
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name(3,5-dimethylfuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2oc(C)cc2C)CC1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-9-8-10(2)17-12(9)13(16)15-6-4-11(14-3)5-7-15;/h8,11,14H,4-7H2,1-3H3;1H
InChIKeyAUYPCWFFBUIPJO-UHFFFAOYSA-N
XLogP2.14
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone
CID 119373769
[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone
CID 119517710
(3,5-dimethylfuran-2-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119400963
(3-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone;hydrochloride
CID 119378232
(3,7-dimethyl-1-benzofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119563968
(3-bromo-4-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563275
tert-butyl N-[(3R)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]carbamate
CID 99832684
(2,3-dimethylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560822
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560231
(3-fluoro-5-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559740
N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-4-yl]-3,5-dimethylfuran-2-carboxamide
CID 138057318
1-[4-[(3,5-dimethylfuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250572

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylfuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (3,5-dimethylfuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119560716) is (3,5-dimethylfuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3,5-dimethylfuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3,5-dimethylfuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCN(C(=O)c2oc(C)cc2C)CC1.Cl.
What is the InChIKey of (3,5-dimethylfuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is AUYPCWFFBUIPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-9-8-10(2)17-12(9)13(16)15-6-4-11(14-3)5-7-15;/h8,11,14H,4-7H2,1-3H3;1H.
What are the key properties of (3,5-dimethylfuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
(3,5-dimethylfuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylfuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119560716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).