cis-(1R,2S)-2-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid

C12H20N2O3 — CID 42427085

IUPACcis-(1R,2S)-2-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCNCC1
InChIInChI=1S/C12H20N2O3/c15-11(14-7-5-13-6-8-14)9-3-1-2-4-10(9)12(16)17/h9-10,13H,1-8H2,(H,16,17)/t9-,10+/m0/s1
InChIKeyDGPPBHNEKNDQEP-VHSXEESVSA-N
MW240.30 g/mol
LogP0.31
Rot. Bonds2

About cis-(1R,2S)-2-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid

cis-(1R,2S)-2-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 42427085) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is cis-(1R,2S)-2-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID42427085
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namecis-(1R,2S)-2-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCNCC1
InChIInChI=1S/C12H20N2O3/c15-11(14-7-5-13-6-8-14)9-3-1-2-4-10(9)12(16)17/h9-10,13H,1-8H2,(H,16,17)/t9-,10+/m0/s1
InChIKeyDGPPBHNEKNDQEP-VHSXEESVSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-carboxycyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 4025165
2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 16786759
2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 43246110
4-methyl-2-(piperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114390795
(1S,6R)-6-(piperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 34173784
cis-(1S,2R)-2-(1-oxo-1,4-thiazinane-4-carbonyl)cyclohexane-1-carboxylic acid
CID 94243487
2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 113360949
piperazin-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
CID 119402656
trans-(1S,2S)-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124723311
cis-(1S,2R)-2-(1,4-thiazepane-4-carbonyl)cyclohexane-1-carboxylic acid
CID 114092098
(2-cyclohexylcyclopropyl)-piperazin-1-ylmethanone
CID 119400440
2-(4-sulfamoylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 61041905

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid (CID 42427085) is cis-(1R,2S)-2-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid is O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCNCC1.
What is the InChIKey of cis-(1R,2S)-2-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is DGPPBHNEKNDQEP-VHSXEESVSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11(14-7-5-13-6-8-14)9-3-1-2-4-10(9)12(16)17/h9-10,13H,1-8H2,(H,16,17)/t9-,10+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
cis-(1R,2S)-2-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 42427085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).