[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-3-carboxylate

C22H26N2O7 — CID 42938929

IUPAC[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-3-carboxylate
SMILESCOc1cc(NC(=O)C(C)OC(=O)C2CCCN(C(=O)c3ccco3)C2)cc(OC)c1
InChIInChI=1S/C22H26N2O7/c1-14(20(25)23-16-10-17(28-2)12-18(11-16)29-3)31-22(27)15-6-4-8-24(13-15)21(26)19-7-5-9-30-19/h5,7,9-12,14-15H,4,6,8,13H2,1-3H3,(H,23,25)
InChIKeyBPJJKDCESJCDLT-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.72
Rot. Bonds7

About [1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-3-carboxylate

[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-3-carboxylate (PubChem CID 42938929) has the molecular formula C22H26N2O7 and a molecular weight of 430.46 g/mol. Its IUPAC name is [1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-3-carboxylate
PubChem CID42938929
Molecular FormulaC22H26N2O7
Molecular Weight430.46 g/mol
Exact Mass430.17
IUPAC Name[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-3-carboxylate
SMILESCOc1cc(NC(=O)C(C)OC(=O)C2CCCN(C(=O)c3ccco3)C2)cc(OC)c1
InChIInChI=1S/C22H26N2O7/c1-14(20(25)23-16-10-17(28-2)12-18(11-16)29-3)31-22(27)15-6-4-8-24(13-15)21(26)19-7-5-9-30-19/h5,7,9-12,14-15H,4,6,8,13H2,1-3H3,(H,23,25)
InChIKeyBPJJKDCESJCDLT-UHFFFAOYSA-N
XLogP2.72
TPSA107.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-3-carboxylate with MolForge

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Related Compounds

[1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 55424509
[1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 24662026
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46626989
[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51930904
(3S)-1-(2-chlorobenzoyl)-N-(3,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 94082311
N-(3-acetylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42895769
N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46516477
(3S)-1-(furan-2-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 35823539
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 7863542
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] (3R)-1-acetylpiperidine-3-carboxylate
CID 37167913
methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate
CID 78919778
N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42942172

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of [1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-3-carboxylate (CID 42938929) is [1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for [1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for [1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-3-carboxylate is COc1cc(NC(=O)C(C)OC(=O)C2CCCN(C(=O)c3ccco3)C2)cc(OC)c1.
What is the InChIKey of [1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is BPJJKDCESJCDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7/c1-14(20(25)23-16-10-17(28-2)12-18(11-16)29-3)31-22(27)15-6-4-8-24(13-15)21(26)19-7-5-9-30-19/h5,7,9-12,14-15H,4,6,8,13H2,1-3H3,(H,23,25).
What are the key properties of [1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-3-carboxylate?
[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-3-carboxylate has a molecular weight of 430.46 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 42938929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).