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

C19H25N3O2 — CID 72924276

IUPAC1-(furan-2-ylmethyl)-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCc1ccncc1)C1CCCN(Cc2ccco2)C1
InChIInChI=1S/C19H25N3O2/c23-19(21-9-1-4-16-7-10-20-11-8-16)17-5-2-12-22(14-17)15-18-6-3-13-24-18/h3,6-8,10-11,13,17H,1-2,4-5,9,12,14-15H2,(H,21,23)
InChIKeyAYEYZUUGIJGTFP-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.64
Rot. Bonds7

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

1-(furan-2-ylmethyl)-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide (PubChem CID 72924276) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide
PubChem CID72924276
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-(furan-2-ylmethyl)-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCc1ccncc1)C1CCCN(Cc2ccco2)C1
InChIInChI=1S/C19H25N3O2/c23-19(21-9-1-4-16-7-10-20-11-8-16)17-5-2-12-22(14-17)15-18-6-3-13-24-18/h3,6-8,10-11,13,17H,1-2,4-5,9,12,14-15H2,(H,21,23)
InChIKeyAYEYZUUGIJGTFP-UHFFFAOYSA-N
XLogP2.64
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Lafutidine
CID 5282136
N-{2-Furan-2-yl-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 2874943
N-{2-Furan-2-yl-1-[(pyridin-2-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5765254
N-[(1Z)-1-(furan-2-yl)-3-oxo-3-{[2-(pyridin-2-yl)ethyl]amino}prop-1-en-2-yl]benzamide
CID 5765256
N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 3196508
(2E)-2-cyano-3-[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide
CID 829165
5-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 903714
6-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 2090615
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2362869
1-(2-Cyanoethyl)-3-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea
CID 2533954
(2-Furylmethyl)(3-pyridinylmethyl)amine hydrochloride
CID 2815908
N-[3-(2-p-Tolyloxy-acetylamino)-propyl]-nicotinamide
CID 2988570

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide (CID 72924276) is 1-(furan-2-ylmethyl)-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide is O=C(NCCCc1ccncc1)C1CCCN(Cc2ccco2)C1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide?
The InChIKey is AYEYZUUGIJGTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-19(21-9-1-4-16-7-10-20-11-8-16)17-5-2-12-22(14-17)15-18-6-3-13-24-18/h3,6-8,10-11,13,17H,1-2,4-5,9,12,14-15H2,(H,21,23).
What are the key properties of 1-(furan-2-ylmethyl)-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide?
1-(furan-2-ylmethyl)-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 72924276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).