N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylpiperidine-2-carboxamide;hydrochloride

C16H21ClF2N2O4 — CID 119333699

IUPACN-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
SMILESCN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)C1CCCCN1.Cl
InChIInChI=1S/C16H20F2N2O4.ClH/c1-20(15(21)11-4-2-3-5-19-11)8-10-6-13-14(23-9-22-13)7-12(10)24-16(17)18;/h6-7,11,16,19H,2-5,8-9H2,1H3;1H
InChIKeyAICAAKDIWNPBRR-UHFFFAOYSA-N
MW378.80 g/mol
LogP2.54
Rot. Bonds5

About N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylpiperidine-2-carboxamide;hydrochloride

N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylpiperidine-2-carboxamide;hydrochloride (PubChem CID 119333699) has the molecular formula C16H21ClF2N2O4 and a molecular weight of 378.80 g/mol. Its IUPAC name is N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylpiperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
PubChem CID119333699
Molecular FormulaC16H21ClF2N2O4
Molecular Weight378.80 g/mol
Exact Mass378.12
IUPAC NameN-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
SMILESCN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)C1CCCCN1.Cl
InChIInChI=1S/C16H20F2N2O4.ClH/c1-20(15(21)11-4-2-3-5-19-11)8-10-6-13-14(23-9-22-13)7-12(10)24-16(17)18;/h6-7,11,16,19H,2-5,8-9H2,1H3;1H
InChIKeyAICAAKDIWNPBRR-UHFFFAOYSA-N
XLogP2.54
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.80
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119333711
N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 119333712
(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-2-carboxamide
CID 103808021
(2S,5R)-5-(aminomethyl)-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methyloxolane-2-carboxamide;hydrochloride
CID 120794725
2-(4-aminophenyl)-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylacetamide;hydrochloride
CID 119801304
3-amino-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylpropanamide
CID 119333708
4-amino-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylbutanamide;hydrochloride
CID 119333735
(2R)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 103808029
3-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl-methylamino]propanoic acid
CID 119138110
4-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl-methylamino]butanoic acid
CID 119138111
(2S)-2-amino-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methyl-4-methylsulfanylbutanamide
CID 119333716
2-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl-propylamino]acetic acid
CID 122039904

Frequently Asked Questions

What is the IUPAC name of N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylpiperidine-2-carboxamide;hydrochloride (CID 119333699) is N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylpiperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylpiperidine-2-carboxamide;hydrochloride is CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)C1CCCCN1.Cl.
What is the InChIKey of N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
The InChIKey is AICAAKDIWNPBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O4.ClH/c1-20(15(21)11-4-2-3-5-19-11)8-10-6-13-14(23-9-22-13)7-12(10)24-16(17)18;/h6-7,11,16,19H,2-5,8-9H2,1H3;1H.
What are the key properties of N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylpiperidine-2-carboxamide;hydrochloride has a molecular weight of 378.80 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylpiperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119333699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).