N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpiperidine-3-carboxamide;hydrochloride

C14H17ClF2N2O3 — CID 119943991

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CCCNC1.Cl
InChIInChI=1S/C14H16F2N2O3.ClH/c1-13(5-2-6-17-8-13)12(19)18-9-3-4-10-11(7-9)21-14(15,16)20-10;/h3-4,7,17H,2,5-6,8H2,1H3,(H,18,19);1H
InChIKeyNPOZTIZKIOLOKL-UHFFFAOYSA-N
MW334.75 g/mol
LogP2.76
Rot. Bonds2

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpiperidine-3-carboxamide;hydrochloride

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119943991) has the molecular formula C14H17ClF2N2O3 and a molecular weight of 334.75 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
PubChem CID119943991
Molecular FormulaC14H17ClF2N2O3
Molecular Weight334.75 g/mol
Exact Mass334.09
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CCCNC1.Cl
InChIInChI=1S/C14H16F2N2O3.ClH/c1-13(5-2-6-17-8-13)12(19)18-9-3-4-10-11(7-9)21-14(15,16)20-10;/h3-4,7,17H,2,5-6,8H2,1H3,(H,18,19);1H
InChIKeyNPOZTIZKIOLOKL-UHFFFAOYSA-N
XLogP2.76
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.75
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(3-acetylphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
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N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide
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N-(4-methoxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
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3-methyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-3-carboxamide
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N-[4-(hydroxymethyl)phenyl]-3-methylpiperidine-3-carboxamide
CID 113397758
3-methyl-N-thiophen-3-ylpiperidine-3-carboxamide
CID 66352634
N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide
CID 63132655
3-methyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119943872
1-carbamothioyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclobutane-1-carboxamide
CID 80593446
N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944538

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpiperidine-3-carboxamide;hydrochloride (CID 119943991) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpiperidine-3-carboxamide;hydrochloride is CC1(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CCCNC1.Cl.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is NPOZTIZKIOLOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3.ClH/c1-13(5-2-6-17-8-13)12(19)18-9-3-4-10-11(7-9)21-14(15,16)20-10;/h3-4,7,17H,2,5-6,8H2,1H3,(H,18,19);1H.
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpiperidine-3-carboxamide;hydrochloride?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 334.75 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119943991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).