1-(furan-2-carbonyl)-2-methyl-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid

C19H23N3O4 — CID 134072278

IUPAC1-(furan-2-carbonyl)-2-methyl-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid
SMILESCN(Cc1cccnc1)C1CCN(C(=O)c2ccco2)C(C)(C(=O)O)C1
InChIInChI=1S/C19H23N3O4/c1-19(18(24)25)11-15(21(2)13-14-5-3-8-20-12-14)7-9-22(19)17(23)16-6-4-10-26-16/h3-6,8,10,12,15H,7,9,11,13H2,1-2H3,(H,24,25)
InChIKeyJJKUCAWMGAFLIW-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.25
Rot. Bonds5

About 1-(furan-2-carbonyl)-2-methyl-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid

1-(furan-2-carbonyl)-2-methyl-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid (PubChem CID 134072278) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-2-methyl-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-2-methyl-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid
PubChem CID134072278
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-(furan-2-carbonyl)-2-methyl-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid
SMILESCN(Cc1cccnc1)C1CCN(C(=O)c2ccco2)C(C)(C(=O)O)C1
InChIInChI=1S/C19H23N3O4/c1-19(18(24)25)11-15(21(2)13-14-5-3-8-20-12-14)7-9-22(19)17(23)16-6-4-10-26-16/h3-6,8,10,12,15H,7,9,11,13H2,1-2H3,(H,24,25)
InChIKeyJJKUCAWMGAFLIW-UHFFFAOYSA-N
XLogP2.25
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-carbonyl)-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 171688622
1-(furan-2-carbonyl)-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 155856159
[(2S,3R)-3-(dimethylamino)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 97470905
(3S)-3-[methyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97487726
[(3aR,6aR)-2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(furan-2-yl)methanone
CID 97376848
(2R,4R)-1-[(5-methylfuran-2-yl)methyl]-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid
CID 97415912
N-methyl-N,8-bis(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine;tris(2,2,2-trifluoroacetic acid)
CID 171697216
N-(furan-2-ylmethyl)-N-methyl-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine;tris(2,2,2-trifluoroacetic acid)
CID 155831585
tert-butyl (3R)-3-[methyl(pyridin-3-ylmethyl)amino]pyrrolidine-1-carboxylate
CID 71647429
1-(furan-3-carbonyl)-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 171687944
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927
4-[methyl(pyridin-3-ylmethyl)amino]-1-(thiophene-3-carbonyl)piperidine-2-carboxylic acid
CID 131657853

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-2-methyl-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid?
The IUPAC name of 1-(furan-2-carbonyl)-2-methyl-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid (CID 134072278) is 1-(furan-2-carbonyl)-2-methyl-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(furan-2-carbonyl)-2-methyl-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid?
The canonical SMILES for 1-(furan-2-carbonyl)-2-methyl-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid is CN(Cc1cccnc1)C1CCN(C(=O)c2ccco2)C(C)(C(=O)O)C1.
What is the InChIKey of 1-(furan-2-carbonyl)-2-methyl-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid?
The InChIKey is JJKUCAWMGAFLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-19(18(24)25)11-15(21(2)13-14-5-3-8-20-12-14)7-9-22(19)17(23)16-6-4-10-26-16/h3-6,8,10,12,15H,7,9,11,13H2,1-2H3,(H,24,25).
What are the key properties of 1-(furan-2-carbonyl)-2-methyl-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid?
1-(furan-2-carbonyl)-2-methyl-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-2-methyl-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid is sourced from PubChem (CID 134072278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).