N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide

C21H24N2O5 — CID 55973868

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)C1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C21H24N2O5/c1-22(14-15-7-8-17-19(13-15)28-12-11-27-17)20(24)16-5-2-3-9-23(16)21(25)18-6-4-10-26-18/h4,6-8,10,13,16H,2-3,5,9,11-12,14H2,1H3
InChIKeyVYOKERXHRFRPAO-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.70
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide (PubChem CID 55973868) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide
PubChem CID55973868
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)C1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C21H24N2O5/c1-22(14-15-7-8-17-19(13-15)28-12-11-27-17)20(24)16-5-2-3-9-23(16)21(25)18-6-4-10-26-18/h4,6-8,10,13,16H,2-3,5,9,11-12,14H2,1H3
InChIKeyVYOKERXHRFRPAO-UHFFFAOYSA-N
XLogP2.70
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]propanoic acid
CID 119232964
5-[[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222428
(2S)-N-[(2S)-2-cyanopropyl]-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide
CID 94815039
1-(furan-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-2-carboxamide
CID 87045075
N-[(5-bromothiophen-2-yl)methyl]-1-(furan-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 55369644
1-(furan-2-carbonyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide
CID 119551072
(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 94809063
1-(furan-2-carbonyl)-N-methyl-N-(1H-pyrazol-4-yl)piperidine-2-carboxamide
CID 165343506
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55965888
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 81125976
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methylpyrrolidine-2-carboxamide
CID 31363979
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methylpiperidine-4-carboxamide
CID 55336042

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide (CID 55973868) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide is CN(Cc1ccc2c(c1)OCCO2)C(=O)C1CCCCN1C(=O)c1ccco1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is VYOKERXHRFRPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-22(14-15-7-8-17-19(13-15)28-12-11-27-17)20(24)16-5-2-3-9-23(16)21(25)18-6-4-10-26-18/h4,6-8,10,13,16H,2-3,5,9,11-12,14H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 384.43 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 55973868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).