1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide

C19H28N4O4 — CID 78857324

IUPAC1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC(NC(=O)CN2CCCC2C(=O)NCc2ccco2)CC1
InChIInChI=1S/C19H28N4O4/c1-14(24)22-9-6-15(7-10-22)21-18(25)13-23-8-2-5-17(23)19(26)20-12-16-4-3-11-27-16/h3-4,11,15,17H,2,5-10,12-13H2,1H3,(H,20,26)(H,21,25)
InChIKeyMDUDKPSJSCVEPY-UHFFFAOYSA-N
MW376.46 g/mol
LogP0.49
Rot. Bonds6

About 1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide

1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 78857324) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID78857324
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC(NC(=O)CN2CCCC2C(=O)NCc2ccco2)CC1
InChIInChI=1S/C19H28N4O4/c1-14(24)22-9-6-15(7-10-22)21-18(25)13-23-8-2-5-17(23)19(26)20-12-16-4-3-11-27-16/h3-4,11,15,17H,2,5-10,12-13H2,1H3,(H,20,26)(H,21,25)
InChIKeyMDUDKPSJSCVEPY-UHFFFAOYSA-N
XLogP0.49
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 85487201
N-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55578958
1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 42926300
N-(furan-2-ylmethyl)-1-(2-hydroxybutyl)pyrrolidine-2-carboxamide
CID 111123272
(2S)-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 38774859
N-(furan-2-ylmethyl)-1-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55590977
1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 47025093
methyl 5-[2-[(2R)-2-(furan-2-ylmethylcarbamoyl)pyrrolidin-1-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 33370117
1-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 55578962
(2R)-1-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 38775077
tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate
CID 51147296
N-(furan-2-ylmethyl)-1-(3-phenoxypropyl)pyrrolidine-2-carboxamide
CID 42885954

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide (CID 78857324) is 1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide is CC(=O)N1CCC(NC(=O)CN2CCCC2C(=O)NCc2ccco2)CC1.
What is the InChIKey of 1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is MDUDKPSJSCVEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-14(24)22-9-6-15(7-10-22)21-18(25)13-23-8-2-5-17(23)19(26)20-12-16-4-3-11-27-16/h3-4,11,15,17H,2,5-10,12-13H2,1H3,(H,20,26)(H,21,25).
What are the key properties of 1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 78857324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).