2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride

C13H21ClN2O2 — CID 120600731

IUPAC2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCNC(C)C2)c(C)o1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-8-6-11(4-5-14-8)15-13(16)12-7-9(2)17-10(12)3;/h7-8,11,14H,4-6H2,1-3H3,(H,15,16);1H
InChIKeyPVUKDJIGQNIIKS-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.19
Rot. Bonds2

About 2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride

2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride (PubChem CID 120600731) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride
PubChem CID120600731
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCNC(C)C2)c(C)o1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-8-6-11(4-5-14-8)15-13(16)12-7-9(2)17-10(12)3;/h7-8,11,14H,4-6H2,1-3H3,(H,15,16);1H
InChIKeyPVUKDJIGQNIIKS-UHFFFAOYSA-N
XLogP2.19
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide
CID 43603617
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(2-methylpiperidin-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 120601204
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,5-dimethylfuran-3-carboxamide
CID 43603808
2,5-dimethyl-N-piperidin-3-ylfuran-3-carboxamide;hydrochloride
CID 119427545
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995605
2,5-dimethyl-N-[(3S)-piperidin-3-yl]furan-3-carboxamide
CID 93274596
2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide
CID 120599004
2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995466
5,6-dimethyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide
CID 120601646
2-iodo-4-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120600382
N-[4-(ethylamino)cyclohexyl]-2,5-dimethylfuran-3-carboxamide
CID 43653345
2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide
CID 106995322

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride?
The IUPAC name of 2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride (CID 120600731) is 2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride.
What is the SMILES notation for 2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride?
The canonical SMILES for 2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride is Cc1cc(C(=O)NC2CCNC(C)C2)c(C)o1.Cl.
What is the InChIKey of 2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride?
The InChIKey is PVUKDJIGQNIIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-8-6-11(4-5-14-8)15-13(16)12-7-9(2)17-10(12)3;/h7-8,11,14H,4-6H2,1-3H3,(H,15,16);1H.
What are the key properties of 2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride?
2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride is sourced from PubChem (CID 120600731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).