N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide

C15H20N2O3 — CID 43704400

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide
SMILESCC(NC(=O)C1CCCCN1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H20N2O3/c1-10(17-15(18)12-4-2-3-7-16-12)11-5-6-13-14(8-11)20-9-19-13/h5-6,8,10,12,16H,2-4,7,9H2,1H3,(H,17,18)
InChIKeySXWDNRBHTDZWMG-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.73
Rot. Bonds3

About N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide (PubChem CID 43704400) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide
PubChem CID43704400
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide
SMILESCC(NC(=O)C1CCCCN1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H20N2O3/c1-10(17-15(18)12-4-2-3-7-16-12)11-5-6-13-14(8-11)20-9-19-13/h5-6,8,10,12,16H,2-4,7,9H2,1H3,(H,17,18)
InChIKeySXWDNRBHTDZWMG-UHFFFAOYSA-N
XLogP1.73
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119276718
N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 81355602
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
N-[1-(3,4-difluorophenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119269548
(2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide
CID 103809894
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687
(2R)-N-[(1R)-1-(3-bromophenyl)ethyl]piperidine-2-carboxamide
CID 104914374
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104914369
N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-2-carboxamide
CID 43705280
4-[1-(1,3-benzodioxol-5-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672858
N-[(1R)-1-(3-chlorophenyl)ethyl]azepane-2-carboxamide
CID 81371968

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide (CID 43704400) is N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide is CC(NC(=O)C1CCCCN1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is SXWDNRBHTDZWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(17-15(18)12-4-2-3-7-16-12)11-5-6-13-14(8-11)20-9-19-13/h5-6,8,10,12,16H,2-4,7,9H2,1H3,(H,17,18).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 43704400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).