1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide

C19H25N3O3 — CID 9442872

IUPAC1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1cc(C(=O)CN2CCC(C(N)=O)CC2)c(C)n1Cc1ccco1
InChIInChI=1S/C19H25N3O3/c1-13-10-17(14(2)22(13)11-16-4-3-9-25-16)18(23)12-21-7-5-15(6-8-21)19(20)24/h3-4,9-10,15H,5-8,11-12H2,1-2H3,(H2,20,24)
InChIKeyLGYGVJGGGLLBRV-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.13
Rot. Bonds6

About 1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 9442872) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID9442872
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1cc(C(=O)CN2CCC(C(N)=O)CC2)c(C)n1Cc1ccco1
InChIInChI=1S/C19H25N3O3/c1-13-10-17(14(2)22(13)11-16-4-3-9-25-16)18(23)12-21-7-5-15(6-8-21)19(20)24/h3-4,9-10,15H,5-8,11-12H2,1-2H3,(H2,20,24)
InChIKeyLGYGVJGGGLLBRV-UHFFFAOYSA-N
XLogP2.13
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 9442858
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8648689
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]pyridin-1-ium-3-carboxamide
CID 8831887
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 4652121
1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione
CID 8626457
(5R,6R)-3-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2110738
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 94121472
2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 4808471
[(2S)-1-amino-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8732292
2-(2-chlorophenoxy)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 7815844
1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione
CID 7807334

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide (CID 9442872) is 1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide is Cc1cc(C(=O)CN2CCC(C(N)=O)CC2)c(C)n1Cc1ccco1.
What is the InChIKey of 1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is LGYGVJGGGLLBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-10-17(14(2)22(13)11-16-4-3-9-25-16)18(23)12-21-7-5-15(6-8-21)19(20)24/h3-4,9-10,15H,5-8,11-12H2,1-2H3,(H2,20,24).
What are the key properties of 1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 9442872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).