N-(furan-2-ylmethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide

C20H26N2O2 — CID 99852493

IUPACN-(furan-2-ylmethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
SMILESCc1ccc(CCN(Cc2ccco2)C(=O)C2CCNCC2)cc1
InChIInChI=1S/C20H26N2O2/c1-16-4-6-17(7-5-16)10-13-22(15-19-3-2-14-24-19)20(23)18-8-11-21-12-9-18/h2-7,14,18,21H,8-13,15H2,1H3
InChIKeyPHMROSRMUOGDEC-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.16
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide

N-(furan-2-ylmethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 99852493) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID99852493
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(furan-2-ylmethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
SMILESCc1ccc(CCN(Cc2ccco2)C(=O)C2CCNCC2)cc1
InChIInChI=1S/C20H26N2O2/c1-16-4-6-17(7-5-16)10-13-22(15-19-3-2-14-24-19)20(23)18-8-11-21-12-9-18/h2-7,14,18,21H,8-13,15H2,1H3
InChIKeyPHMROSRMUOGDEC-UHFFFAOYSA-N
XLogP3.16
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 60938375
3-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]propanoic acid
CID 82323935
N-(furan-2-ylmethyl)-6-methyl-N-[2-(4-methylphenyl)ethyl]pyridazine-4-carboxamide
CID 100666480
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide
CID 3924733
N-(furan-2-ylmethyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 42773267
N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 3597779
(3R)-N,N-bis(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767497
(3S)-N,N-bis(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767495
N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]cyclobutanecarboxamide
CID 3496002
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide
CID 90488273
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclohexanecarboxamide
CID 3561496

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide (CID 99852493) is N-(furan-2-ylmethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide is Cc1ccc(CCN(Cc2ccco2)C(=O)C2CCNCC2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is PHMROSRMUOGDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-16-4-6-17(7-5-16)10-13-22(15-19-3-2-14-24-19)20(23)18-8-11-21-12-9-18/h2-7,14,18,21H,8-13,15H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide?
N-(furan-2-ylmethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 99852493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).