N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylacetamide

C14H18N2O3 — CID 760826

IUPACN-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H18N2O3/c17-14(9-16-6-2-1-3-7-16)15-11-4-5-12-13(8-11)19-10-18-12/h4-5,8H,1-3,6-7,9-10H2,(H,15,17)
InChIKeyKUAQEDPYOBHGFT-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.84
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylacetamide

N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylacetamide (PubChem CID 760826) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylacetamide
PubChem CID760826
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H18N2O3/c17-14(9-16-6-2-1-3-7-16)15-11-4-5-12-13(8-11)19-10-18-12/h4-5,8H,1-3,6-7,9-10H2,(H,15,17)
InChIKeyKUAQEDPYOBHGFT-UHFFFAOYSA-N
XLogP1.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2H-1,3-Benzodioxol-5-yl)-2-chloroacetamide
CID 735851
N-(2H-1,3-Benzodioxol-5-yl)acetamide
CID 98688
Hydroxyethyl-3,4-methylenedioxyaniline hydrochloride
CID 175592
Ethyl 2-(1,3-benzodioxol-5-ylamino)acetate
CID 745625
1-Piperazinepropanamide, N-1,3-benzodioxol-5-yl-4-phenyl-
CID 1149630
1,3-Benzodioxol-5-amine, N-ethyl-
CID 118365
N-(benzo[d][1,3]dioxol-5-yl)benzene-1,2-diamine
CID 12445399
N-(1,3-benzodioxol-5-yl)cyclohexanecarboxamide
CID 823577
N-(1,3-benzodioxol-5-yl)-2-methoxyacetamide
CID 837107
N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 863856
N-1,3-benzodioxol-5-yl-N'-(4-methylcyclohexyl)ethanediamide
CID 2223231
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide
CID 2465911

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylacetamide (CID 760826) is N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylacetamide?
The InChIKey is KUAQEDPYOBHGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-14(9-16-6-2-1-3-7-16)15-11-4-5-12-13(8-11)19-10-18-12/h4-5,8H,1-3,6-7,9-10H2,(H,15,17).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylacetamide?
N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylacetamide has a molecular weight of 262.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 760826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).