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

C20H25FN4O4 — CID 39336068

IUPAC1-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C20H25FN4O4/c21-15-1-3-16(4-2-15)25-12-14(11-18(25)27)20(29)23-8-5-17(26)24-9-6-13(7-10-24)19(22)28/h1-4,13-14H,5-12H2,(H2,22,28)(H,23,29)/t14-/m0/s1
InChIKeyHIWKGAXHSGLTER-AWEZNQCLSA-N
MW404.44 g/mol
LogP0.41
Rot. Bonds6

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

1-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide (PubChem CID 39336068) has the molecular formula C20H25FN4O4 and a molecular weight of 404.44 g/mol. Its IUPAC name is 1-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide
PubChem CID39336068
Molecular FormulaC20H25FN4O4
Molecular Weight404.44 g/mol
Exact Mass404.19
IUPAC Name1-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C20H25FN4O4/c21-15-1-3-16(4-2-15)25-12-14(11-18(25)27)20(29)23-8-5-17(26)24-9-6-13(7-10-24)19(22)28/h1-4,13-14H,5-12H2,(H2,22,28)(H,23,29)/t14-/m0/s1
InChIKeyHIWKGAXHSGLTER-AWEZNQCLSA-N
XLogP0.41
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide
CID 42655508
1-(4-ethylphenyl)-5-oxo-N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 55802546
1-[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]piperidine-4-carboxamide
CID 4903928
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 91637213
1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide
CID 17310603
1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 55802767
(3S)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39037161
(3R)-1-(4-fluorophenyl)-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 39040356
N-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42654409
N-(1-carbamoylazetidin-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 146023023
diethyl-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl]azanium
CID 7421023
N-[2-(4-fluorophenoxy)ethyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46599827

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide (CID 39336068) is 1-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CCNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1.
What is the InChIKey of 1-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide?
The InChIKey is HIWKGAXHSGLTER-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25FN4O4/c21-15-1-3-16(4-2-15)25-12-14(11-18(25)27)20(29)23-8-5-17(26)24-9-6-13(7-10-24)19(22)28/h1-4,13-14H,5-12H2,(H2,22,28)(H,23,29)/t14-/m0/s1.
What are the key properties of 1-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide?
1-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide has a molecular weight of 404.44 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 39336068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).