N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2,2-diphenylacetamide

C25H29N2O2+ — CID 2470246

IUPACN-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2,2-diphenylacetamide
SMILESO=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N2O2/c28-25(24(20-11-4-1-5-12-20)21-13-6-2-7-14-21)26-19-22(23-15-10-18-29-23)27-16-8-3-9-17-27/h1-2,4-7,10-15,18,22,24H,3,8-9,16-17,19H2,(H,26,28)/p+1/t22-/m1/s1
InChIKeyMJVQXSAJYOHJMA-JOCHJYFZSA-O
MW389.52 g/mol
LogP3.34
Rot. Bonds7

About N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2,2-diphenylacetamide

N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2,2-diphenylacetamide (PubChem CID 2470246) has the molecular formula C25H29N2O2+ and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2,2-diphenylacetamide
PubChem CID2470246
Molecular FormulaC25H29N2O2+
Molecular Weight389.52 g/mol
Exact Mass389.22
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2,2-diphenylacetamide
SMILESO=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N2O2/c28-25(24(20-11-4-1-5-12-20)21-13-6-2-7-14-21)26-19-22(23-15-10-18-29-23)27-16-8-3-9-17-27/h1-2,4-7,10-15,18,22,24H,3,8-9,16-17,19H2,(H,26,28)/p+1/t22-/m1/s1
InChIKeyMJVQXSAJYOHJMA-JOCHJYFZSA-O
XLogP3.34
TPSA46.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 2565002
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride
CID 52984942
N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7780251
1-(4-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]urea
CID 9318401
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-methylsulfonylbenzamide
CID 2481597
(4R)-4-(furan-2-yl)-1-phenyl-4-piperidin-1-ium-1-ylbutan-2-one
CID 7053456
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 9291963
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 7944532
4-(dimethylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide
CID 7719508
4-(difluoromethylsulfonyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide
CID 8501820
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9266520
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3,5-dimethoxybenzamide
CID 9404067

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2,2-diphenylacetamide (CID 2470246) is N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2,2-diphenylacetamide is O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2,2-diphenylacetamide?
The InChIKey is MJVQXSAJYOHJMA-JOCHJYFZSA-O. The full InChI is InChI=1S/C25H28N2O2/c28-25(24(20-11-4-1-5-12-20)21-13-6-2-7-14-21)26-19-22(23-15-10-18-29-23)27-16-8-3-9-17-27/h1-2,4-7,10-15,18,22,24H,3,8-9,16-17,19H2,(H,26,28)/p+1/t22-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2,2-diphenylacetamide?
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2,2-diphenylacetamide has a molecular weight of 389.52 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 2470246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).