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

C18H23N3O2 — CID 72847380

IUPAC1-(furan-2-ylmethyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccncc1)C1CCN(Cc2ccco2)CC1
InChIInChI=1S/C18H23N3O2/c22-18(20-10-5-15-3-8-19-9-4-15)16-6-11-21(12-7-16)14-17-2-1-13-23-17/h1-4,8-9,13,16H,5-7,10-12,14H2,(H,20,22)
InChIKeyHLUHFUMNHGCNJM-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.25
Rot. Bonds6

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

1-(furan-2-ylmethyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide (PubChem CID 72847380) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
PubChem CID72847380
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-(furan-2-ylmethyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccncc1)C1CCN(Cc2ccco2)CC1
InChIInChI=1S/C18H23N3O2/c22-18(20-10-5-15-3-8-19-9-4-15)16-6-11-21(12-7-16)14-17-2-1-13-23-17/h1-4,8-9,13,16H,5-7,10-12,14H2,(H,20,22)
InChIKeyHLUHFUMNHGCNJM-UHFFFAOYSA-N
XLogP2.25
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
Triazine-4-carboxamide, 12
CID 44520937
(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-Furylmethyl)(3-pyridinylmethyl)amine hydrochloride
CID 2815908
N-ethyl-5-methyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 6468617
N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide
CID 6893827

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide (CID 72847380) is 1-(furan-2-ylmethyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide is O=C(NCCc1ccncc1)C1CCN(Cc2ccco2)CC1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide?
The InChIKey is HLUHFUMNHGCNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-18(20-10-5-15-3-8-19-9-4-15)16-6-11-21(12-7-16)14-17-2-1-13-23-17/h1-4,8-9,13,16H,5-7,10-12,14H2,(H,20,22).
What are the key properties of 1-(furan-2-ylmethyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide?
1-(furan-2-ylmethyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.25, 6 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-(2-pyridin-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 72847380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).