N-[(3S)-2,6-dioxopiperidin-3-yl]-3-oxododecanamide

C17H28N2O4 — CID 53238621

IUPACN-[(3S)-2,6-dioxopiperidin-3-yl]-3-oxododecanamide
SMILESCCCCCCCCCC(=O)CC(=O)N[C@H]1CCC(=O)NC1=O
InChIInChI=1S/C17H28N2O4/c1-2-3-4-5-6-7-8-9-13(20)12-16(22)18-14-10-11-15(21)19-17(14)23/h14H,2-12H2,1H3,(H,18,22)(H,19,21,23)/t14-/m0/s1
InChIKeyKEFJBIDAWRILEC-AWEZNQCLSA-N
MW324.42 g/mol
LogP2.01
Rot. Bonds11

About N-[(3S)-2,6-dioxopiperidin-3-yl]-3-oxododecanamide

N-[(3S)-2,6-dioxopiperidin-3-yl]-3-oxododecanamide (PubChem CID 53238621) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[(3S)-2,6-dioxopiperidin-3-yl]-3-oxododecanamide.

Molecular Properties

Compound NameN-[(3S)-2,6-dioxopiperidin-3-yl]-3-oxododecanamide
PubChem CID53238621
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC NameN-[(3S)-2,6-dioxopiperidin-3-yl]-3-oxododecanamide
SMILESCCCCCCCCCC(=O)CC(=O)N[C@H]1CCC(=O)NC1=O
InChIInChI=1S/C17H28N2O4/c1-2-3-4-5-6-7-8-9-13(20)12-16(22)18-14-10-11-15(21)19-17(14)23/h14H,2-12H2,1H3,(H,18,22)(H,19,21,23)/t14-/m0/s1
InChIKeyKEFJBIDAWRILEC-AWEZNQCLSA-N
XLogP2.01
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-Lauroyl-L-glutamic acid di-n-butylamide
CID 113401
N-[(3S)-2,6-dioxopiperidin-3-yl]undecanamide
CID 10935341
N-[(3S)-2,6-dioxopiperidin-3-yl]heptanamide
CID 10966632
N-[(3S)-2,6-dioxopiperidin-3-yl]nonanamide
CID 11054677
(2S)-2-amino-N-[(1-tridecanoylpiperidin-2-yl)methyl]pentanediamide
CID 44330850
N-[(3S)-2,6-dioxopiperidin-3-yl]-10,11-ditritioundecanamide
CID 49799815
N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-oxododecanamide
CID 53238620
(R)-N1-((S)-5-oxohexan-2-yl)-2-tetradecanamidosuccinamide
CID 121232603
Dihexanoylpiperazine
CID 22596902
Bisstearoyldiethylenediamine
CID 68416140
N-[4-[3,6-dioxo-5-(7,7,7-trifluoro-6-oxoheptyl)piperazin-2-yl]butyl]acetamide
CID 147101527
Winhibin
CID 162623844

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2,6-dioxopiperidin-3-yl]-3-oxododecanamide?
The IUPAC name of N-[(3S)-2,6-dioxopiperidin-3-yl]-3-oxododecanamide (CID 53238621) is N-[(3S)-2,6-dioxopiperidin-3-yl]-3-oxododecanamide.
What is the SMILES notation for N-[(3S)-2,6-dioxopiperidin-3-yl]-3-oxododecanamide?
The canonical SMILES for N-[(3S)-2,6-dioxopiperidin-3-yl]-3-oxododecanamide is CCCCCCCCCC(=O)CC(=O)N[C@H]1CCC(=O)NC1=O.
What is the InChIKey of N-[(3S)-2,6-dioxopiperidin-3-yl]-3-oxododecanamide?
The InChIKey is KEFJBIDAWRILEC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-2-3-4-5-6-7-8-9-13(20)12-16(22)18-14-10-11-15(21)19-17(14)23/h14H,2-12H2,1H3,(H,18,22)(H,19,21,23)/t14-/m0/s1.
What are the key properties of N-[(3S)-2,6-dioxopiperidin-3-yl]-3-oxododecanamide?
N-[(3S)-2,6-dioxopiperidin-3-yl]-3-oxododecanamide has a molecular weight of 324.42 g/mol, XLogP of 2.01, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,6-dioxopiperidin-3-yl]-3-oxododecanamide is sourced from PubChem (CID 53238621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).