N-(furan-2-ylmethyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide

C19H22N2O4 — CID 4989910

IUPACN-(furan-2-ylmethyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(C(=O)NCc3ccco3)CC2)c1
InChIInChI=1S/C19H22N2O4/c1-24-16-5-2-4-15(12-16)19(23)21-9-7-14(8-10-21)18(22)20-13-17-6-3-11-25-17/h2-6,11-12,14H,7-10,13H2,1H3,(H,20,22)
InChIKeyGUGSKEFYDGRROK-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.46
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide

N-(furan-2-ylmethyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide (PubChem CID 4989910) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
PubChem CID4989910
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC NameN-(furan-2-ylmethyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(C(=O)NCc3ccco3)CC2)c1
InChIInChI=1S/C19H22N2O4/c1-24-16-5-2-4-15(12-16)19(23)21-9-7-14(8-10-21)18(22)20-13-17-6-3-11-25-17/h2-6,11-12,14H,7-10,13H2,1H3,(H,20,22)
InChIKeyGUGSKEFYDGRROK-UHFFFAOYSA-N
XLogP2.46
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide (CID 4989910) is N-(furan-2-ylmethyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide is COc1cccc(C(=O)N2CCC(C(=O)NCc3ccco3)CC2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is GUGSKEFYDGRROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-24-16-5-2-4-15(12-16)19(23)21-9-7-14(8-10-21)18(22)20-13-17-6-3-11-25-17/h2-6,11-12,14H,7-10,13H2,1H3,(H,20,22).
What are the key properties of N-(furan-2-ylmethyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
N-(furan-2-ylmethyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 342.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 4989910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).