cis-(1R,2S)-2-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid

C15H25NO3 — CID 124523302

IUPACcis-(1R,2S)-2-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)[C@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C15H25NO3/c1-10-6-5-7-11(2)16(10)14(17)12-8-3-4-9-13(12)15(18)19/h10-13H,3-9H2,1-2H3,(H,18,19)/t10-,11+,12-,13+/m0/s1
InChIKeyAEXBARWSQLVVLD-QNWHQSFQSA-N
MW267.37 g/mol
LogP2.67
Rot. Bonds2

About cis-(1R,2S)-2-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid

cis-(1R,2S)-2-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 124523302) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID124523302
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Namecis-(1R,2S)-2-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)[C@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C15H25NO3/c1-10-6-5-7-11(2)16(10)14(17)12-8-3-4-9-13(12)15(18)19/h10-13H,3-9H2,1-2H3,(H,18,19)/t10-,11+,12-,13+/m0/s1
InChIKeyAEXBARWSQLVVLD-QNWHQSFQSA-N
XLogP2.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60791393
(2-aminocyclopentyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 64816010
4-(2,6-dimethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782781
cyclohexyl-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 897689
cyclopropyl-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 130610084
(2S,3S)-3-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 124723449
2-(2-methylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120974339
acetic acid;cyclohexane-1,2-dicarboxylic acid
CID 66603349
2-[4-(2-carboxycyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 4025165
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
2-(3,4-dimethylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978927
2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 16786759

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid (CID 124523302) is cis-(1R,2S)-2-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid is C[C@@H]1CCC[C@H](C)N1C(=O)[C@H]1CCCC[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is AEXBARWSQLVVLD-QNWHQSFQSA-N. The full InChI is InChI=1S/C15H25NO3/c1-10-6-5-7-11(2)16(10)14(17)12-8-3-4-9-13(12)15(18)19/h10-13H,3-9H2,1-2H3,(H,18,19)/t10-,11+,12-,13+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
cis-(1R,2S)-2-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 124523302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).