N-[1,3-benzodioxol-5-yl(pyridin-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

C24H23N3O5 — CID 126474735

IUPACN-[1,3-benzodioxol-5-yl(pyridin-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(NC(c1ccc2c(c1)OCO2)c1ccccn1)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C24H23N3O5/c28-23(16-6-10-27(11-7-16)24(29)18-8-12-30-14-18)26-22(19-3-1-2-9-25-19)17-4-5-20-21(13-17)32-15-31-20/h1-5,8-9,12-14,16,22H,6-7,10-11,15H2,(H,26,28)
InChIKeyIMBQTQMKIVRGGV-UHFFFAOYSA-N
MW433.46 g/mol
LogP3.16
Rot. Bonds5

About N-[1,3-benzodioxol-5-yl(pyridin-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

N-[1,3-benzodioxol-5-yl(pyridin-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (PubChem CID 126474735) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is N-[1,3-benzodioxol-5-yl(pyridin-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1,3-benzodioxol-5-yl(pyridin-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
PubChem CID126474735
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC NameN-[1,3-benzodioxol-5-yl(pyridin-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(NC(c1ccc2c(c1)OCO2)c1ccccn1)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C24H23N3O5/c28-23(16-6-10-27(11-7-16)24(29)18-8-12-30-14-18)26-22(19-3-1-2-9-25-19)17-4-5-20-21(13-17)32-15-31-20/h1-5,8-9,12-14,16,22H,6-7,10-11,15H2,(H,26,28)
InChIKeyIMBQTQMKIVRGGV-UHFFFAOYSA-N
XLogP3.16
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 126471673
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55566755
1-(furan-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 35555974
N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 126475743
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
N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzoylpiperidine-4-carboxamide
CID 110615621
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 134002034
4-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119179810
N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 42392495
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51306894

Frequently Asked Questions

What is the IUPAC name of N-[1,3-benzodioxol-5-yl(pyridin-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[1,3-benzodioxol-5-yl(pyridin-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (CID 126474735) is N-[1,3-benzodioxol-5-yl(pyridin-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1,3-benzodioxol-5-yl(pyridin-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1,3-benzodioxol-5-yl(pyridin-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is O=C(NC(c1ccc2c(c1)OCO2)c1ccccn1)C1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of N-[1,3-benzodioxol-5-yl(pyridin-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is IMBQTQMKIVRGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c28-23(16-6-10-27(11-7-16)24(29)18-8-12-30-14-18)26-22(19-3-1-2-9-25-19)17-4-5-20-21(13-17)32-15-31-20/h1-5,8-9,12-14,16,22H,6-7,10-11,15H2,(H,26,28).
What are the key properties of N-[1,3-benzodioxol-5-yl(pyridin-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
N-[1,3-benzodioxol-5-yl(pyridin-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 433.46 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-benzodioxol-5-yl(pyridin-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 126474735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).