N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxamide

C21H24N2O5 — CID 4260306

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxamide
SMILESCc1cc(C(=O)N2CCCCC2C(=O)NCc2ccc3c(c2)OCO3)c(C)o1
InChIInChI=1S/C21H24N2O5/c1-13-9-16(14(2)28-13)21(25)23-8-4-3-5-17(23)20(24)22-11-15-6-7-18-19(10-15)27-12-26-18/h6-7,9-10,17H,3-5,8,11-12H2,1-2H3,(H,22,24)
InChIKeyHFOCPFIEJFULCB-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.94
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxamide (PubChem CID 4260306) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxamide
PubChem CID4260306
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxamide
SMILESCc1cc(C(=O)N2CCCCC2C(=O)NCc2ccc3c(c2)OCO3)c(C)o1
InChIInChI=1S/C21H24N2O5/c1-13-9-16(14(2)28-13)21(25)23-8-4-3-5-17(23)20(24)22-11-15-6-7-18-19(10-15)27-12-26-18/h6-7,9-10,17H,3-5,8,11-12H2,1-2H3,(H,22,24)
InChIKeyHFOCPFIEJFULCB-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(2,5-dimethylfuran-3-carbonyl)-N-(2-methylpropyl)piperidine-2-carboxamide
CID 815120
N-(1,3-benzodioxol-5-ylmethyl)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide
CID 51069997
2-N-(1,3-benzodioxol-5-ylmethyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 24792243
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 39892035
N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 3357704
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 42779978
(2S)-2-N-(1,3-benzodioxol-5-ylmethyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468684
N-(1,3-benzodioxol-5-ylmethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240294
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methylfuran-3-carbonyl)piperidine-3-carboxamide
CID 1030627
N-(1,3-benzodioxol-5-ylmethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 56807672
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-methylpiperidine-1-carbothioamide
CID 7941796
(2S)-N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 97013861

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxamide (CID 4260306) is N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxamide is Cc1cc(C(=O)N2CCCCC2C(=O)NCc2ccc3c(c2)OCO3)c(C)o1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxamide?
The InChIKey is HFOCPFIEJFULCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-13-9-16(14(2)28-13)21(25)23-8-4-3-5-17(23)20(24)22-11-15-6-7-18-19(10-15)27-12-26-18/h6-7,9-10,17H,3-5,8,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxamide has a molecular weight of 384.43 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 4260306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).