(2R)-1-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]piperidine-2-carboxamide

C16H23N3O4 — CID 142798185

IUPAC(2R)-1-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]piperidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCCN1C(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C16H23N3O4/c17-16(23)12-6-3-5-10-18(12)13(20)7-2-1-4-11-19-14(21)8-9-15(19)22/h8-9,12H,1-7,10-11H2,(H2,17,23)/t12-/m1/s1
InChIKeyJGUHCQRSVFYSNK-GFCCVEGCSA-N
MW321.38 g/mol
LogP0.34
Rot. Bonds7

About (2R)-1-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]piperidine-2-carboxamide

(2R)-1-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]piperidine-2-carboxamide (PubChem CID 142798185) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is (2R)-1-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]piperidine-2-carboxamide
PubChem CID142798185
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name(2R)-1-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]piperidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCCN1C(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C16H23N3O4/c17-16(23)12-6-3-5-10-18(12)13(20)7-2-1-4-11-19-14(21)8-9-15(19)22/h8-9,12H,1-7,10-11H2,(H2,17,23)/t12-/m1/s1
InChIKeyJGUHCQRSVFYSNK-GFCCVEGCSA-N
XLogP0.34
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)piperidine-2,6-dione
CID 65969289
2,5-dihydropyrrol-1-yl-[(2S)-piperidin-2-yl]methanone
CID 15020430
2-(2,5-Dioxopyrrol-1-yl)hexanamide
CID 18474209
2-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)octyl]acetamide
CID 20778308
6-[3-(2,5-Dioxopyrrol-1-yl)propanoylamino]-2-(methylamino)hexanamide
CID 21299504
Bis-Maleimide amine
CID 51340937
1-[6-[4-(2-Methylpropanoyl)piperazin-1-yl]-6-oxohexyl]pyrrole-2,5-dione
CID 57835992
2,6-diacetamido-N-[1,7-bis(2,5-dioxopyrrol-1-yl)heptan-4-yl]hexanamide
CID 57910274
(2S)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-(methylamino)hexanamide
CID 58680633
6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[4-(2-oxo-2-piperazin-1-ylacetyl)piperazin-1-yl]ethyl]amino]ethyl]hexanamide
CID 58734946
6-(2,5-dioxopyrrol-1-yl)-N-formyl-2-(propanoylamino)hexanamide
CID 59481909
N-acetyl-6-(2,5-dioxopyrrol-1-yl)-2-(propanoylamino)hexanamide
CID 59481924

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]piperidine-2-carboxamide (CID 142798185) is (2R)-1-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]piperidine-2-carboxamide is NC(=O)[C@H]1CCCCN1C(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of (2R)-1-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]piperidine-2-carboxamide?
The InChIKey is JGUHCQRSVFYSNK-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O4/c17-16(23)12-6-3-5-10-18(12)13(20)7-2-1-4-11-19-14(21)8-9-15(19)22/h8-9,12H,1-7,10-11H2,(H2,17,23)/t12-/m1/s1.
What are the key properties of (2R)-1-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]piperidine-2-carboxamide?
(2R)-1-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]piperidine-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]piperidine-2-carboxamide is sourced from PubChem (CID 142798185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).