2-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid

C16H27NO3 — CID 83053442

IUPAC2-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCCCC1CCCCN1C(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C16H27NO3/c1-2-7-12-8-5-6-11-17(12)15(18)13-9-3-4-10-14(13)16(19)20/h12-14H,2-11H2,1H3,(H,19,20)
InChIKeyMYVGIYQAJHSPFS-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.06
Rot. Bonds4

About 2-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid

2-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 83053442) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID83053442
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCCCC1CCCCN1C(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C16H27NO3/c1-2-7-12-8-5-6-11-17(12)15(18)13-9-3-4-10-14(13)16(19)20/h12-14H,2-11H2,1H3,(H,19,20)
InChIKeyMYVGIYQAJHSPFS-UHFFFAOYSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 43213005
2-[2-(hydroxymethyl)azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 116634329
3-bicyclo[3.1.0]hexanyl-(2-propylpiperidin-1-yl)methanone
CID 83056790
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
7-azabicyclo[2.2.1]heptan-2-yl-(2-propylpiperidin-1-yl)methanone
CID 83053388
2-(2-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 83061636
(6-methylpiperidin-2-yl)-(2-propylpiperidin-1-yl)methanone
CID 83055375
2-(2-methylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120974339
piperidin-2-yl-(2-propylpiperidin-1-yl)methanone
CID 83053071
(2-propylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 83052563
2-bromo-1-(2-propylpiperidin-1-yl)ethanone
CID 83053246
[4-(propylamino)oxolan-3-yl]-(2-propylpiperidin-1-yl)methanone
CID 83052187

Frequently Asked Questions

What is the IUPAC name of 2-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid (CID 83053442) is 2-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid is CCCC1CCCCN1C(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is MYVGIYQAJHSPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-2-7-12-8-5-6-11-17(12)15(18)13-9-3-4-10-14(13)16(19)20/h12-14H,2-11H2,1H3,(H,19,20).
What are the key properties of 2-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid?
2-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 83053442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).