N-[(3,3-dimethylpiperidin-2-yl)methyl]furan-2-carboxamide;hydrochloride

C13H21ClN2O2 — CID 120670986

IUPACN-[(3,3-dimethylpiperidin-2-yl)methyl]furan-2-carboxamide;hydrochloride
SMILESCC1(C)CCCNC1CNC(=O)c1ccco1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-13(2)6-4-7-14-11(13)9-15-12(16)10-5-3-8-17-10;/h3,5,8,11,14H,4,6-7,9H2,1-2H3,(H,15,16);1H
InChIKeyVSEPWIPLHGSXPO-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.21
Rot. Bonds3

About N-[(3,3-dimethylpiperidin-2-yl)methyl]furan-2-carboxamide;hydrochloride

N-[(3,3-dimethylpiperidin-2-yl)methyl]furan-2-carboxamide;hydrochloride (PubChem CID 120670986) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N-[(3,3-dimethylpiperidin-2-yl)methyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3,3-dimethylpiperidin-2-yl)methyl]furan-2-carboxamide;hydrochloride
PubChem CID120670986
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC NameN-[(3,3-dimethylpiperidin-2-yl)methyl]furan-2-carboxamide;hydrochloride
SMILESCC1(C)CCCNC1CNC(=O)c1ccco1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-13(2)6-4-7-14-11(13)9-15-12(16)10-5-3-8-17-10;/h3,5,8,11,14H,4,6-7,9H2,1-2H3,(H,15,16);1H
InChIKeyVSEPWIPLHGSXPO-UHFFFAOYSA-N
XLogP2.21
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluorobenzamide;hydrochloride
CID 120670694
2-bromo-N-[(3,3-dimethylpiperidin-2-yl)methyl]-4-fluorobenzamide;hydrochloride
CID 120670746
N-[(1-methylcyclobutyl)methyl]furan-2-carboxamide
CID 103737372
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methylpyridine-3-carboxamide;dihydrochloride
CID 120671038
N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-6-carboxamide
CID 120670665
N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 120670741
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-fluoro-2-nitrobenzamide;hydrochloride
CID 120670951
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide
CID 41412119
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4-nitrobenzamide
CID 120670675
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide;hydrochloride
CID 120670962
tert-butyl N-[(3,3-dimethylpiperidin-2-yl)methyl]carbamate
CID 130690433
N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,3,3-trifluoropropanamide
CID 114083886

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]furan-2-carboxamide;hydrochloride (CID 120670986) is N-[(3,3-dimethylpiperidin-2-yl)methyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3,3-dimethylpiperidin-2-yl)methyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(3,3-dimethylpiperidin-2-yl)methyl]furan-2-carboxamide;hydrochloride is CC1(C)CCCNC1CNC(=O)c1ccco1.Cl.
What is the InChIKey of N-[(3,3-dimethylpiperidin-2-yl)methyl]furan-2-carboxamide;hydrochloride?
The InChIKey is VSEPWIPLHGSXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-13(2)6-4-7-14-11(13)9-15-12(16)10-5-3-8-17-10;/h3,5,8,11,14H,4,6-7,9H2,1-2H3,(H,15,16);1H.
What are the key properties of N-[(3,3-dimethylpiperidin-2-yl)methyl]furan-2-carboxamide;hydrochloride?
N-[(3,3-dimethylpiperidin-2-yl)methyl]furan-2-carboxamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethylpiperidin-2-yl)methyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 120670986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).