1-acetylpiperidine-4-carboxylic acid;ethane

C10H19NO3 — CID 144882491

IUPAC1-acetylpiperidine-4-carboxylic acid;ethane
SMILESCC.CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C8H13NO3.C2H6/c1-6(10)9-4-2-7(3-5-9)8(11)12;1-2/h7H,2-5H2,1H3,(H,11,12);1-2H3
InChIKeyWHIZPDMGPOHSLE-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.36
Rot. Bonds1

About 1-acetylpiperidine-4-carboxylic acid;ethane

1-acetylpiperidine-4-carboxylic acid;ethane (PubChem CID 144882491) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-acetylpiperidine-4-carboxylic acid;ethane.

Molecular Properties

Compound Name1-acetylpiperidine-4-carboxylic acid;ethane
PubChem CID144882491
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-acetylpiperidine-4-carboxylic acid;ethane
SMILESCC.CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C8H13NO3.C2H6/c1-6(10)9-4-2-7(3-5-9)8(11)12;1-2/h7H,2-5H2,1H3,(H,11,12);1-2H3
InChIKeyWHIZPDMGPOHSLE-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60807892
4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783969
piperidine-1,4-dicarboxylic acid
CID 18542445
1-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxylic acid
CID 59639391
1-acetyl-N-hydroxypiperidine-4-carboxamide
CID 126992136
1-acetylpiperidine-3-carboxylic acid;ethane
CID 143204854
3-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63044371
1-(1-acetylpiperidin-4-yl)-2-bromoethanone
CID 77230326
1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43170987
1-acetylpyrrolidine-3-carboxylic acid;1-propan-2-ylpyrrolidine
CID 169177339
1-acetylpiperidine-3-carboxylic acid
CID 14043896
1-methylpiperidine-4-carboxylic acid;hydrate
CID 69434793

Frequently Asked Questions

What is the IUPAC name of 1-acetylpiperidine-4-carboxylic acid;ethane?
The IUPAC name of 1-acetylpiperidine-4-carboxylic acid;ethane (CID 144882491) is 1-acetylpiperidine-4-carboxylic acid;ethane.
What is the SMILES notation for 1-acetylpiperidine-4-carboxylic acid;ethane?
The canonical SMILES for 1-acetylpiperidine-4-carboxylic acid;ethane is CC.CC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-acetylpiperidine-4-carboxylic acid;ethane?
The InChIKey is WHIZPDMGPOHSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3.C2H6/c1-6(10)9-4-2-7(3-5-9)8(11)12;1-2/h7H,2-5H2,1H3,(H,11,12);1-2H3.
What are the key properties of 1-acetylpiperidine-4-carboxylic acid;ethane?
1-acetylpiperidine-4-carboxylic acid;ethane has a molecular weight of 201.27 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetylpiperidine-4-carboxylic acid;ethane is sourced from PubChem (CID 144882491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).