1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperidine-4-carboxamide

C17H22N2O4 — CID 32544635

IUPAC1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(C)Cc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C17H22N2O4/c1-12(20)19-7-5-14(6-8-19)17(21)18(2)10-13-3-4-15-16(9-13)23-11-22-15/h3-4,9,14H,5-8,10-11H2,1-2H3
InChIKeyLSYWFBHWFDNXKQ-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.63
Rot. Bonds3

About 1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperidine-4-carboxamide

1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperidine-4-carboxamide (PubChem CID 32544635) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperidine-4-carboxamide
PubChem CID32544635
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(C)Cc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C17H22N2O4/c1-12(20)19-7-5-14(6-8-19)17(21)18(2)10-13-3-4-15-16(9-13)23-11-22-15/h3-4,9,14H,5-8,10-11H2,1-2H3
InChIKeyLSYWFBHWFDNXKQ-UHFFFAOYSA-N
XLogP1.63
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55712469
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60655395
tert-butyl 4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]piperidine-1-carboxylate
CID 31339965
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792182
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclohex-3-ene-1-carboxamide
CID 78801154
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methylpiperidine-4-carboxamide
CID 55336042
(1S)-N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloro-N-methylcyclopropane-1-carboxamide
CID 39952466
1-(4-acetylpiperidin-1-yl)-3-(1,3-benzodioxol-5-yl)propan-1-one
CID 112536882
N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylcyclopropanecarboxamide
CID 42723822
N-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79388521
N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpyrrolidine-3-carboxamide
CID 63714960
N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trifluoro-N-methylacetamide
CID 62492139

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperidine-4-carboxamide (CID 32544635) is 1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N(C)Cc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is LSYWFBHWFDNXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-12(20)19-7-5-14(6-8-19)17(21)18(2)10-13-3-4-15-16(9-13)23-11-22-15/h3-4,9,14H,5-8,10-11H2,1-2H3.
What are the key properties of 1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperidine-4-carboxamide?
1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 32544635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).