N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

C21H24N2O5 — CID 55566755

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H24N2O5/c1-14(16-2-3-18-19(12-16)28-11-10-27-18)22-20(24)15-4-7-23(8-5-15)21(25)17-6-9-26-13-17/h2-3,6,9,12-15H,4-5,7-8,10-11H2,1H3,(H,22,24)
InChIKeyMMFXIJQHEFWZLO-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.78
Rot. Bonds4

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (PubChem CID 55566755) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
PubChem CID55566755
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H24N2O5/c1-14(16-2-3-18-19(12-16)28-11-10-27-18)22-20(24)15-4-7-23(8-5-15)21(25)17-6-9-26-13-17/h2-3,6,9,12-15H,4-5,7-8,10-11H2,1H3,(H,22,24)
InChIKeyMMFXIJQHEFWZLO-UHFFFAOYSA-N
XLogP2.78
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 131896032
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 134002034
1-(furan-3-carbonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-4-carboxamide
CID 134048684
N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992604
N-[(2R)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992601
2,2,2-trifluoroethyl 4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 24642549
N-[1,3-benzodioxol-5-yl(pyridin-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 126474735
1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine-4-carboxamide
CID 133230458
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51306894
N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 39495813
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 25480504
N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 136516484

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (CID 55566755) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is MMFXIJQHEFWZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-14(16-2-3-18-19(12-16)28-11-10-27-18)22-20(24)15-4-7-23(8-5-15)21(25)17-6-9-26-13-17/h2-3,6,9,12-15H,4-5,7-8,10-11H2,1H3,(H,22,24).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 384.43 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55566755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).