1-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide

C21H28N4O5 — CID 42655508

IUPAC1-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCCC(=O)N3CCC(C(N)=O)CC3)CC2=O)cc1
InChIInChI=1S/C21H28N4O5/c1-30-17-4-2-16(3-5-17)25-13-15(12-19(25)27)21(29)23-9-6-18(26)24-10-7-14(8-11-24)20(22)28/h2-5,14-15H,6-13H2,1H3,(H2,22,28)(H,23,29)
InChIKeyFHBPLCYSRRGDNW-UHFFFAOYSA-N
MW416.48 g/mol
LogP0.28
Rot. Bonds7

About 1-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide

1-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide (PubChem CID 42655508) has the molecular formula C21H28N4O5 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide
PubChem CID42655508
Molecular FormulaC21H28N4O5
Molecular Weight416.48 g/mol
Exact Mass416.21
IUPAC Name1-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCCC(=O)N3CCC(C(N)=O)CC3)CC2=O)cc1
InChIInChI=1S/C21H28N4O5/c1-30-17-4-2-16(3-5-17)25-13-15(12-19(25)27)21(29)23-9-6-18(26)24-10-7-14(8-11-24)20(22)28/h2-5,14-15H,6-13H2,1H3,(H2,22,28)(H,23,29)
InChIKeyFHBPLCYSRRGDNW-UHFFFAOYSA-N
XLogP0.28
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide
CID 39336068
N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
(3R)-1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 39038553
1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 42534317
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785660
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119408774
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674
1-(4-ethylphenyl)-5-oxo-N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 55802546
ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 17309359
(3R)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39349857

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide (CID 42655508) is 1-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide is COc1ccc(N2CC(C(=O)NCCC(=O)N3CCC(C(N)=O)CC3)CC2=O)cc1.
What is the InChIKey of 1-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide?
The InChIKey is FHBPLCYSRRGDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O5/c1-30-17-4-2-16(3-5-17)25-13-15(12-19(25)27)21(29)23-9-6-18(26)24-10-7-14(8-11-24)20(22)28/h2-5,14-15H,6-13H2,1H3,(H2,22,28)(H,23,29).
What are the key properties of 1-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide?
1-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 42655508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).