1-acetylpiperidine-2-carboxylic acid;ethane

C12H25NO3 — CID 144674830

IUPAC1-acetylpiperidine-2-carboxylic acid;ethane
SMILESCC.CC.CC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C8H13NO3.2C2H6/c1-6(10)9-5-3-2-4-7(9)8(11)12;2*1-2/h7H,2-5H2,1H3,(H,11,12);2*1-2H3
InChIKeyXIHSUFKMVBHRIX-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.52
Rot. Bonds1

About 1-acetylpiperidine-2-carboxylic acid;ethane

1-acetylpiperidine-2-carboxylic acid;ethane (PubChem CID 144674830) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-acetylpiperidine-2-carboxylic acid;ethane.

Molecular Properties

Compound Name1-acetylpiperidine-2-carboxylic acid;ethane
PubChem CID144674830
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-acetylpiperidine-2-carboxylic acid;ethane
SMILESCC.CC.CC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C8H13NO3.2C2H6/c1-6(10)9-5-3-2-4-7(9)8(11)12;2*1-2/h7H,2-5H2,1H3,(H,11,12);2*1-2H3
InChIKeyXIHSUFKMVBHRIX-UHFFFAOYSA-N
XLogP2.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-1-acetylpiperidin-2-yl]ethanone
CID 58356057
1-(1-acetylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64560305
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
1-(1-acetylpiperidin-2-yl)propan-1-one
CID 45119530
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 688617
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10537428
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 43171073

Frequently Asked Questions

What is the IUPAC name of 1-acetylpiperidine-2-carboxylic acid;ethane?
The IUPAC name of 1-acetylpiperidine-2-carboxylic acid;ethane (CID 144674830) is 1-acetylpiperidine-2-carboxylic acid;ethane.
What is the SMILES notation for 1-acetylpiperidine-2-carboxylic acid;ethane?
The canonical SMILES for 1-acetylpiperidine-2-carboxylic acid;ethane is CC.CC.CC(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-acetylpiperidine-2-carboxylic acid;ethane?
The InChIKey is XIHSUFKMVBHRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3.2C2H6/c1-6(10)9-5-3-2-4-7(9)8(11)12;2*1-2/h7H,2-5H2,1H3,(H,11,12);2*1-2H3.
What are the key properties of 1-acetylpiperidine-2-carboxylic acid;ethane?
1-acetylpiperidine-2-carboxylic acid;ethane has a molecular weight of 231.34 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetylpiperidine-2-carboxylic acid;ethane is sourced from PubChem (CID 144674830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).