N-[(3S)-2-oxopiperidin-3-yl]undec-10-enamide

C16H28N2O2 — CID 11076846

IUPACN-[(3S)-2-oxopiperidin-3-yl]undec-10-enamide
SMILESC=CCCCCCCCCC(=O)N[C@H]1CCCNC1=O
InChIInChI=1S/C16H28N2O2/c1-2-3-4-5-6-7-8-9-12-15(19)18-14-11-10-13-17-16(14)20/h2,14H,1,3-13H2,(H,17,20)(H,18,19)/t14-/m0/s1
InChIKeyDADASGTVISBBLD-AWEZNQCLSA-N
MW280.41 g/mol
LogP2.69
Rot. Bonds10

About N-[(3S)-2-oxopiperidin-3-yl]undec-10-enamide

N-[(3S)-2-oxopiperidin-3-yl]undec-10-enamide (PubChem CID 11076846) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[(3S)-2-oxopiperidin-3-yl]undec-10-enamide.

Molecular Properties

Compound NameN-[(3S)-2-oxopiperidin-3-yl]undec-10-enamide
PubChem CID11076846
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[(3S)-2-oxopiperidin-3-yl]undec-10-enamide
SMILESC=CCCCCCCCCC(=O)N[C@H]1CCCNC1=O
InChIInChI=1S/C16H28N2O2/c1-2-3-4-5-6-7-8-9-12-15(19)18-14-11-10-13-17-16(14)20/h2,14H,1,3-13H2,(H,17,20)(H,18,19)/t14-/m0/s1
InChIKeyDADASGTVISBBLD-AWEZNQCLSA-N
XLogP2.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxopiperidin-3-yl]undec-10-enamide?
The IUPAC name of N-[(3S)-2-oxopiperidin-3-yl]undec-10-enamide (CID 11076846) is N-[(3S)-2-oxopiperidin-3-yl]undec-10-enamide.
What is the SMILES notation for N-[(3S)-2-oxopiperidin-3-yl]undec-10-enamide?
The canonical SMILES for N-[(3S)-2-oxopiperidin-3-yl]undec-10-enamide is C=CCCCCCCCCC(=O)N[C@H]1CCCNC1=O.
What is the InChIKey of N-[(3S)-2-oxopiperidin-3-yl]undec-10-enamide?
The InChIKey is DADASGTVISBBLD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-3-4-5-6-7-8-9-12-15(19)18-14-11-10-13-17-16(14)20/h2,14H,1,3-13H2,(H,17,20)(H,18,19)/t14-/m0/s1.
What are the key properties of N-[(3S)-2-oxopiperidin-3-yl]undec-10-enamide?
N-[(3S)-2-oxopiperidin-3-yl]undec-10-enamide has a molecular weight of 280.41 g/mol, XLogP of 2.69, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxopiperidin-3-yl]undec-10-enamide is sourced from PubChem (CID 11076846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).