N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]undec-10-enamide

C17H28N2O3 — CID 10935747

IUPACN-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]undec-10-enamide
SMILESC=CCCCCCCCCC(=O)N[C@H]1CCC(=O)N(C)C1=O
InChIInChI=1S/C17H28N2O3/c1-3-4-5-6-7-8-9-10-11-15(20)18-14-12-13-16(21)19(2)17(14)22/h3,14H,1,4-13H2,2H3,(H,18,20)/t14-/m0/s1
InChIKeyWHDQNPSQHZVPOF-AWEZNQCLSA-N
MW308.42 g/mol
LogP2.56
Rot. Bonds10

About N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]undec-10-enamide

N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]undec-10-enamide (PubChem CID 10935747) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]undec-10-enamide.

Molecular Properties

Compound NameN-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]undec-10-enamide
PubChem CID10935747
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC NameN-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]undec-10-enamide
SMILESC=CCCCCCCCCC(=O)N[C@H]1CCC(=O)N(C)C1=O
InChIInChI=1S/C17H28N2O3/c1-3-4-5-6-7-8-9-10-11-15(20)18-14-12-13-16(21)19(2)17(14)22/h3,14H,1,4-13H2,2H3,(H,18,20)/t14-/m0/s1
InChIKeyWHDQNPSQHZVPOF-AWEZNQCLSA-N
XLogP2.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]undec-10-enamide?
The IUPAC name of N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]undec-10-enamide (CID 10935747) is N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]undec-10-enamide.
What is the SMILES notation for N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]undec-10-enamide?
The canonical SMILES for N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]undec-10-enamide is C=CCCCCCCCCC(=O)N[C@H]1CCC(=O)N(C)C1=O.
What is the InChIKey of N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]undec-10-enamide?
The InChIKey is WHDQNPSQHZVPOF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-3-4-5-6-7-8-9-10-11-15(20)18-14-12-13-16(21)19(2)17(14)22/h3,14H,1,4-13H2,2H3,(H,18,20)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]undec-10-enamide?
N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]undec-10-enamide has a molecular weight of 308.42 g/mol, XLogP of 2.56, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]undec-10-enamide is sourced from PubChem (CID 10935747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).