1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide

C18H20N2O4 — CID 47019403

IUPAC1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide
SMILESO=C(NOCc1ccccc1)C1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C18H20N2O4/c21-17(19-24-13-14-6-2-1-3-7-14)15-8-4-10-20(12-15)18(22)16-9-5-11-23-16/h1-3,5-7,9,11,15H,4,8,10,12-13H2,(H,19,21)
InChIKeyFTGGXUUXBLKHBE-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.38
Rot. Bonds5

About 1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide

1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide (PubChem CID 47019403) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide
PubChem CID47019403
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide
SMILESO=C(NOCc1ccccc1)C1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C18H20N2O4/c21-17(19-24-13-14-6-2-1-3-7-14)15-8-4-10-20(12-15)18(22)16-9-5-11-23-16/h1-3,5-7,9,11,15H,4,8,10,12-13H2,(H,19,21)
InChIKeyFTGGXUUXBLKHBE-UHFFFAOYSA-N
XLogP2.38
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-N-phenyl-3-N-phenylmethoxypiperidine-1,3-dicarboxamide
CID 32578740
(2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide
CID 32581229
N'-(2-bromobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 46523711
1-(furan-2-carbonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 46515829
(3S)-N-(3-ethoxypropyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 32623768
N'-(adamantane-1-carbonyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 42938304
(3R)-1-(furan-2-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 34750702
N-[2-(diethylamino)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46529020
furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547
N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46516477
(3R)-1-(furan-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 32618175
(3S)-1-(furan-2-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 35823539

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide (CID 47019403) is 1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide is O=C(NOCc1ccccc1)C1CCCN(C(=O)c2ccco2)C1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide?
The InChIKey is FTGGXUUXBLKHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-17(19-24-13-14-6-2-1-3-7-14)15-8-4-10-20(12-15)18(22)16-9-5-11-23-16/h1-3,5-7,9,11,15H,4,8,10,12-13H2,(H,19,21).
What are the key properties of 1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide?
1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide is sourced from PubChem (CID 47019403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).