cis-(1R,3S)-3-(piperidine-1-carbonyl)cyclohexane-1-carboxylic acid

C13H21NO3 — CID 124510401

IUPACcis-(1R,3S)-3-(piperidine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@H](C(=O)N2CCCCC2)C1
InChIInChI=1S/C13H21NO3/c15-12(14-7-2-1-3-8-14)10-5-4-6-11(9-10)13(16)17/h10-11H,1-9H2,(H,16,17)/t10-,11+/m0/s1
InChIKeyNOQJRHUZQRAAEI-WDEREUQCSA-N
MW239.31 g/mol
LogP1.89
Rot. Bonds2

About cis-(1R,3S)-3-(piperidine-1-carbonyl)cyclohexane-1-carboxylic acid

cis-(1R,3S)-3-(piperidine-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 124510401) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is cis-(1R,3S)-3-(piperidine-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(piperidine-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID124510401
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namecis-(1R,3S)-3-(piperidine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@H](C(=O)N2CCCCC2)C1
InChIInChI=1S/C13H21NO3/c15-12(14-7-2-1-3-8-14)10-5-4-6-11(9-10)13(16)17/h10-11H,1-9H2,(H,16,17)/t10-,11+/m0/s1
InChIKeyNOQJRHUZQRAAEI-WDEREUQCSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(piperidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(piperidine-1-carbonyl)cyclohexane-1-carboxylic acid (CID 124510401) is cis-(1R,3S)-3-(piperidine-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(piperidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(piperidine-1-carbonyl)cyclohexane-1-carboxylic acid is O=C(O)[C@@H]1CCC[C@H](C(=O)N2CCCCC2)C1.
What is the InChIKey of cis-(1R,3S)-3-(piperidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is NOQJRHUZQRAAEI-WDEREUQCSA-N. The full InChI is InChI=1S/C13H21NO3/c15-12(14-7-2-1-3-8-14)10-5-4-6-11(9-10)13(16)17/h10-11H,1-9H2,(H,16,17)/t10-,11+/m0/s1.
What are the key properties of cis-(1R,3S)-3-(piperidine-1-carbonyl)cyclohexane-1-carboxylic acid?
cis-(1R,3S)-3-(piperidine-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(piperidine-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 124510401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).