6-[4-(5-fluoro-2-methylhexa-2,4-dien-3-yl)piperidine-1-carbonyl]piperidin-2-one

C18H27FN2O2 — CID 91601101

IUPAC6-[4-(5-fluoro-2-methylhexa-2,4-dien-3-yl)piperidine-1-carbonyl]piperidin-2-one
SMILESCC(F)=CC(=C(C)C)C1CCN(C(=O)C2CCCC(=O)N2)CC1
InChIInChI=1S/C18H27FN2O2/c1-12(2)15(11-13(3)19)14-7-9-21(10-8-14)18(23)16-5-4-6-17(22)20-16/h11,14,16H,4-10H2,1-3H3,(H,20,22)
InChIKeyJSZAUGWOGUXZPB-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.10
Rot. Bonds3

About 6-[4-(5-fluoro-2-methylhexa-2,4-dien-3-yl)piperidine-1-carbonyl]piperidin-2-one

6-[4-(5-fluoro-2-methylhexa-2,4-dien-3-yl)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 91601101) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 6-[4-(5-fluoro-2-methylhexa-2,4-dien-3-yl)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name6-[4-(5-fluoro-2-methylhexa-2,4-dien-3-yl)piperidine-1-carbonyl]piperidin-2-one
PubChem CID91601101
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name6-[4-(5-fluoro-2-methylhexa-2,4-dien-3-yl)piperidine-1-carbonyl]piperidin-2-one
SMILESCC(F)=CC(=C(C)C)C1CCN(C(=O)C2CCCC(=O)N2)CC1
InChIInChI=1S/C18H27FN2O2/c1-12(2)15(11-13(3)19)14-7-9-21(10-8-14)18(23)16-5-4-6-17(22)20-16/h11,14,16H,4-10H2,1-3H3,(H,20,22)
InChIKeyJSZAUGWOGUXZPB-UHFFFAOYSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 58457839
CID 58457839
CID 123549785
CID 123549785
CID 126545846
CID 126545846
CID 130216442
CID 130216442
CID 139483884
CID 139483884
CID 139483887
CID 139483887
CID 139483890
CID 139483890
CID 143059560
CID 143059560
CID 144380762
CID 144380762
CID 149390426
CID 149390426
CID 155476306
CID 155476306
CID 170625589
CID 170625589

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-fluoro-2-methylhexa-2,4-dien-3-yl)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 6-[4-(5-fluoro-2-methylhexa-2,4-dien-3-yl)piperidine-1-carbonyl]piperidin-2-one (CID 91601101) is 6-[4-(5-fluoro-2-methylhexa-2,4-dien-3-yl)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 6-[4-(5-fluoro-2-methylhexa-2,4-dien-3-yl)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 6-[4-(5-fluoro-2-methylhexa-2,4-dien-3-yl)piperidine-1-carbonyl]piperidin-2-one is CC(F)=CC(=C(C)C)C1CCN(C(=O)C2CCCC(=O)N2)CC1.
What is the InChIKey of 6-[4-(5-fluoro-2-methylhexa-2,4-dien-3-yl)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is JSZAUGWOGUXZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-12(2)15(11-13(3)19)14-7-9-21(10-8-14)18(23)16-5-4-6-17(22)20-16/h11,14,16H,4-10H2,1-3H3,(H,20,22).
What are the key properties of 6-[4-(5-fluoro-2-methylhexa-2,4-dien-3-yl)piperidine-1-carbonyl]piperidin-2-one?
6-[4-(5-fluoro-2-methylhexa-2,4-dien-3-yl)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 322.42 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-fluoro-2-methylhexa-2,4-dien-3-yl)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 91601101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).