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

C15H20N2O3 — CID 113217356

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine-1-carboxamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)N1CCCCC1
InChIInChI=1S/C15H20N2O3/c18-15(17-8-2-1-3-9-17)16-7-6-12-4-5-13-14(10-12)20-11-19-13/h4-5,10H,1-3,6-9,11H2,(H,16,18)
InChIKeyPQGQWPISKJPLQN-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.15
Rot. Bonds3

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

N-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine-1-carboxamide (PubChem CID 113217356) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine-1-carboxamide
PubChem CID113217356
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine-1-carboxamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)N1CCCCC1
InChIInChI=1S/C15H20N2O3/c18-15(17-8-2-1-3-9-17)16-7-6-12-4-5-13-14(10-12)20-11-19-13/h4-5,10H,1-3,6-9,11H2,(H,16,18)
InChIKeyPQGQWPISKJPLQN-UHFFFAOYSA-N
XLogP2.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]morpholine-4-carboxamide
CID 34673472
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 87000385
4-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109221
4-(1,3-benzodioxol-5-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 94493911
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 87000376
4-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108917
4-(1,3-benzodioxole-5-carbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 23819713
3-(1,3-benzodioxol-5-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 18153065
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167361
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 128783827
5-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylpentan-1-one
CID 10468638
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(ethylamino)acetamide
CID 115158021

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine-1-carboxamide (CID 113217356) is N-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine-1-carboxamide is O=C(NCCc1ccc2c(c1)OCO2)N1CCCCC1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is PQGQWPISKJPLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-15(17-8-2-1-3-9-17)16-7-6-12-4-5-13-14(10-12)20-11-19-13/h4-5,10H,1-3,6-9,11H2,(H,16,18).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine-1-carboxamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 113217356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).