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

C12H20N2O3 — CID 10966632

IUPACN-[(3S)-2,6-dioxopiperidin-3-yl]heptanamide
SMILESCCCCCCC(=O)N[C@H]1CCC(=O)NC1=O
InChIInChI=1S/C12H20N2O3/c1-2-3-4-5-6-10(15)13-9-7-8-11(16)14-12(9)17/h9H,2-8H2,1H3,(H,13,15)(H,14,16,17)/t9-/m0/s1
InChIKeyOTFLPKJSXXODHV-VIFPVBQESA-N
MW240.30 g/mol
LogP0.88
Rot. Bonds6

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

N-[(3S)-2,6-dioxopiperidin-3-yl]heptanamide (PubChem CID 10966632) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-[(3S)-2,6-dioxopiperidin-3-yl]heptanamide.

Molecular Properties

Compound NameN-[(3S)-2,6-dioxopiperidin-3-yl]heptanamide
PubChem CID10966632
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-[(3S)-2,6-dioxopiperidin-3-yl]heptanamide
SMILESCCCCCCC(=O)N[C@H]1CCC(=O)NC1=O
InChIInChI=1S/C12H20N2O3/c1-2-3-4-5-6-10(15)13-9-7-8-11(16)14-12(9)17/h9H,2-8H2,1H3,(H,13,15)(H,14,16,17)/t9-/m0/s1
InChIKeyOTFLPKJSXXODHV-VIFPVBQESA-N
XLogP0.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2,6-dioxopiperidin-3-yl]heptanamide?
The IUPAC name of N-[(3S)-2,6-dioxopiperidin-3-yl]heptanamide (CID 10966632) is N-[(3S)-2,6-dioxopiperidin-3-yl]heptanamide.
What is the SMILES notation for N-[(3S)-2,6-dioxopiperidin-3-yl]heptanamide?
The canonical SMILES for N-[(3S)-2,6-dioxopiperidin-3-yl]heptanamide is CCCCCCC(=O)N[C@H]1CCC(=O)NC1=O.
What is the InChIKey of N-[(3S)-2,6-dioxopiperidin-3-yl]heptanamide?
The InChIKey is OTFLPKJSXXODHV-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-3-4-5-6-10(15)13-9-7-8-11(16)14-12(9)17/h9H,2-8H2,1H3,(H,13,15)(H,14,16,17)/t9-/m0/s1.
What are the key properties of N-[(3S)-2,6-dioxopiperidin-3-yl]heptanamide?
N-[(3S)-2,6-dioxopiperidin-3-yl]heptanamide has a molecular weight of 240.30 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,6-dioxopiperidin-3-yl]heptanamide is sourced from PubChem (CID 10966632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).