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

C16H26N2O3 — CID 57273484

IUPACN-[(3S)-2,6-dioxopiperidin-3-yl]undec-2-enamide
SMILESCCCCCCCCC=CC(=O)N[C@H]1CCC(=O)NC1=O
InChIInChI=1S/C16H26N2O3/c1-2-3-4-5-6-7-8-9-10-14(19)17-13-11-12-15(20)18-16(13)21/h9-10,13H,2-8,11-12H2,1H3,(H,17,19)(H,18,20,21)/t13-/m0/s1
InChIKeyVCDRABYGYCZGOR-ZDUSSCGKSA-N
MW294.39 g/mol
LogP2.21
Rot. Bonds9

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

N-[(3S)-2,6-dioxopiperidin-3-yl]undec-2-enamide (PubChem CID 57273484) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[(3S)-2,6-dioxopiperidin-3-yl]undec-2-enamide.

Molecular Properties

Compound NameN-[(3S)-2,6-dioxopiperidin-3-yl]undec-2-enamide
PubChem CID57273484
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-[(3S)-2,6-dioxopiperidin-3-yl]undec-2-enamide
SMILESCCCCCCCCC=CC(=O)N[C@H]1CCC(=O)NC1=O
InChIInChI=1S/C16H26N2O3/c1-2-3-4-5-6-7-8-9-10-14(19)17-13-11-12-15(20)18-16(13)21/h9-10,13H,2-8,11-12H2,1H3,(H,17,19)(H,18,20,21)/t13-/m0/s1
InChIKeyVCDRABYGYCZGOR-ZDUSSCGKSA-N
XLogP2.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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]undec-2-enamide?
The IUPAC name of N-[(3S)-2,6-dioxopiperidin-3-yl]undec-2-enamide (CID 57273484) is N-[(3S)-2,6-dioxopiperidin-3-yl]undec-2-enamide.
What is the SMILES notation for N-[(3S)-2,6-dioxopiperidin-3-yl]undec-2-enamide?
The canonical SMILES for N-[(3S)-2,6-dioxopiperidin-3-yl]undec-2-enamide is CCCCCCCCC=CC(=O)N[C@H]1CCC(=O)NC1=O.
What is the InChIKey of N-[(3S)-2,6-dioxopiperidin-3-yl]undec-2-enamide?
The InChIKey is VCDRABYGYCZGOR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-3-4-5-6-7-8-9-10-14(19)17-13-11-12-15(20)18-16(13)21/h9-10,13H,2-8,11-12H2,1H3,(H,17,19)(H,18,20,21)/t13-/m0/s1.
What are the key properties of N-[(3S)-2,6-dioxopiperidin-3-yl]undec-2-enamide?
N-[(3S)-2,6-dioxopiperidin-3-yl]undec-2-enamide has a molecular weight of 294.39 g/mol, XLogP of 2.21, 9 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]undec-2-enamide is sourced from PubChem (CID 57273484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).