1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid

C14H22N2O4 — CID 43170987

IUPAC1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
SMILESCC(=O)N1CCC(C(=O)N2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C14H22N2O4/c1-10(17)15-7-4-11(5-8-15)13(18)16-6-2-3-12(9-16)14(19)20/h11-12H,2-9H2,1H3,(H,19,20)
InChIKeyUWRIIUCZLAUKSQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.57
Rot. Bonds2

About 1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid

1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 43170987) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID43170987
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
SMILESCC(=O)N1CCC(C(=O)N2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C14H22N2O4/c1-10(17)15-7-4-11(5-8-15)13(18)16-6-2-3-12(9-16)14(19)20/h11-12H,2-9H2,1H3,(H,19,20)
InChIKeyUWRIIUCZLAUKSQ-UHFFFAOYSA-N
XLogP0.57
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetylpiperidine-3-carboxylic acid
CID 14043896
1-acetylpiperidine-3-carboxylic acid;ethane
CID 143204854
1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43171029
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-3-carboxylic acid
CID 119028566
1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136251
1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone
CID 129355291
1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 110686076
1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid
CID 64767255
(3S)-1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119137245
1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122083640
(3S)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carboxylic acid
CID 81120844
(3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 118103357

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid (CID 43170987) is 1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid is CC(=O)N1CCC(C(=O)N2CCCC(C(=O)O)C2)CC1.
What is the InChIKey of 1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is UWRIIUCZLAUKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-10(17)15-7-4-11(5-8-15)13(18)16-6-2-3-12(9-16)14(19)20/h11-12H,2-9H2,1H3,(H,19,20).
What are the key properties of 1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid?
1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43170987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).