N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(3-methylphenoxy)propanamide

C21H29N2O3+ — CID 2468273

IUPACN-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1
InChIInChI=1S/C21H28N2O3/c1-17-7-5-8-18(15-17)25-14-10-21(24)22-16-19(20-9-6-13-26-20)23-11-3-2-4-12-23/h5-9,13,15,19H,2-4,10-12,14,16H2,1H3,(H,22,24)/p+1/t19-/m1/s1
InChIKeyYKPVJEFRIBUFFX-LJQANCHMSA-O
MW357.47 g/mol
LogP2.28
Rot. Bonds8

About N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(3-methylphenoxy)propanamide

N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(3-methylphenoxy)propanamide (PubChem CID 2468273) has the molecular formula C21H29N2O3+ and a molecular weight of 357.47 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(3-methylphenoxy)propanamide
PubChem CID2468273
Molecular FormulaC21H29N2O3+
Molecular Weight357.47 g/mol
Exact Mass357.22
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1
InChIInChI=1S/C21H28N2O3/c1-17-7-5-8-18(15-17)25-14-10-21(24)22-16-19(20-9-6-13-26-20)23-11-3-2-4-12-23/h5-9,13,15,19H,2-4,10-12,14,16H2,1H3,(H,22,24)/p+1/t19-/m1/s1
InChIKeyYKPVJEFRIBUFFX-LJQANCHMSA-O
XLogP2.28
TPSA55.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methylphenoxy)propanamide
CID 2468270
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 26819049
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide
CID 7780341
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3,5-dimethoxybenzamide
CID 9404067
N-(3-bromo-2-methylpropyl)-3-(3-methylphenoxy)propanamide
CID 113275332
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2,2-diphenylacetamide
CID 2470246
N-(4-chloro-2-methylbutyl)-3-(3-methylphenoxy)propanamide
CID 113273658
1-(3,5-dimethylphenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]thiourea
CID 8683308
3,4,5-triethoxy-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide
CID 7972668
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dimethylphenoxy)propanamide
CID 78784104
(E)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 7780297

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(3-methylphenoxy)propanamide (CID 2468273) is N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(3-methylphenoxy)propanamide?
The InChIKey is YKPVJEFRIBUFFX-LJQANCHMSA-O. The full InChI is InChI=1S/C21H28N2O3/c1-17-7-5-8-18(15-17)25-14-10-21(24)22-16-19(20-9-6-13-26-20)23-11-3-2-4-12-23/h5-9,13,15,19H,2-4,10-12,14,16H2,1H3,(H,22,24)/p+1/t19-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(3-methylphenoxy)propanamide?
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(3-methylphenoxy)propanamide has a molecular weight of 357.47 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 2468273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).