4-(4-oxopiperidine-1-carbonyl)cyclohepta-1,6-diene-1-carboxylic acid

C14H17NO4 — CID 142960121

IUPAC4-(4-oxopiperidine-1-carbonyl)cyclohepta-1,6-diene-1-carboxylic acid
SMILESO=C1CCN(C(=O)C2CC=CC(C(=O)O)=CC2)CC1
InChIInChI=1S/C14H17NO4/c16-12-6-8-15(9-7-12)13(17)10-2-1-3-11(5-4-10)14(18)19/h1,3,5,10H,2,4,6-9H2,(H,18,19)
InChIKeyFCLTYMYIGDLPMA-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.16
Rot. Bonds2

About 4-(4-oxopiperidine-1-carbonyl)cyclohepta-1,6-diene-1-carboxylic acid

4-(4-oxopiperidine-1-carbonyl)cyclohepta-1,6-diene-1-carboxylic acid (PubChem CID 142960121) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 4-(4-oxopiperidine-1-carbonyl)cyclohepta-1,6-diene-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-oxopiperidine-1-carbonyl)cyclohepta-1,6-diene-1-carboxylic acid
PubChem CID142960121
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name4-(4-oxopiperidine-1-carbonyl)cyclohepta-1,6-diene-1-carboxylic acid
SMILESO=C1CCN(C(=O)C2CC=CC(C(=O)O)=CC2)CC1
InChIInChI=1S/C14H17NO4/c16-12-6-8-15(9-7-12)13(17)10-2-1-3-11(5-4-10)14(18)19/h1,3,5,10H,2,4,6-9H2,(H,18,19)
InChIKeyFCLTYMYIGDLPMA-UHFFFAOYSA-N
XLogP1.16
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 97493677
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CID 162120137
1-(pyrrolidine-1-carbonyl)piperidin-4-one
CID 59312557
1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid
CID 64767255
4-(cyclopent-3-ene-1-carbonyl)piperazine-2,6-dione
CID 66082955
1-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperidin-4-one
CID 127269784
cyclohex-3-en-1-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162626054
cyclopent-3-en-1-yl-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 129371278
3-(4-propan-2-ylpiperidine-1-carbonyl)cyclobutan-1-one
CID 118086789
1-acetylpiperidin-4-one;ethane
CID 91328133
morpholin-4-yl-(4-propan-2-ylcyclohex-3-en-1-yl)methanone
CID 138722432
1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-one
CID 127769925

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxopiperidine-1-carbonyl)cyclohepta-1,6-diene-1-carboxylic acid?
The IUPAC name of 4-(4-oxopiperidine-1-carbonyl)cyclohepta-1,6-diene-1-carboxylic acid (CID 142960121) is 4-(4-oxopiperidine-1-carbonyl)cyclohepta-1,6-diene-1-carboxylic acid.
What is the SMILES notation for 4-(4-oxopiperidine-1-carbonyl)cyclohepta-1,6-diene-1-carboxylic acid?
The canonical SMILES for 4-(4-oxopiperidine-1-carbonyl)cyclohepta-1,6-diene-1-carboxylic acid is O=C1CCN(C(=O)C2CC=CC(C(=O)O)=CC2)CC1.
What is the InChIKey of 4-(4-oxopiperidine-1-carbonyl)cyclohepta-1,6-diene-1-carboxylic acid?
The InChIKey is FCLTYMYIGDLPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-12-6-8-15(9-7-12)13(17)10-2-1-3-11(5-4-10)14(18)19/h1,3,5,10H,2,4,6-9H2,(H,18,19).
What are the key properties of 4-(4-oxopiperidine-1-carbonyl)cyclohepta-1,6-diene-1-carboxylic acid?
4-(4-oxopiperidine-1-carbonyl)cyclohepta-1,6-diene-1-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxopiperidine-1-carbonyl)cyclohepta-1,6-diene-1-carboxylic acid is sourced from PubChem (CID 142960121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).