(2R)-4-(4-hydroxycyclohexanecarbonyl)-1-methylpiperazine-2-carboxylic acid

C13H22N2O4 — CID 98265692

IUPAC(2R)-4-(4-hydroxycyclohexanecarbonyl)-1-methylpiperazine-2-carboxylic acid
SMILESCN1CCN(C(=O)C2CCC(O)CC2)C[C@@H]1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-14-6-7-15(8-11(14)13(18)19)12(17)9-2-4-10(16)5-3-9/h9-11,16H,2-8H2,1H3,(H,18,19)/t9?,10?,11-/m1/s1
InChIKeyIISRNKYCWVMSQN-VQXHTEKXSA-N
MW270.33 g/mol
LogP-0.24
Rot. Bonds2

About (2R)-4-(4-hydroxycyclohexanecarbonyl)-1-methylpiperazine-2-carboxylic acid

(2R)-4-(4-hydroxycyclohexanecarbonyl)-1-methylpiperazine-2-carboxylic acid (PubChem CID 98265692) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2R)-4-(4-hydroxycyclohexanecarbonyl)-1-methylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-(4-hydroxycyclohexanecarbonyl)-1-methylpiperazine-2-carboxylic acid
PubChem CID98265692
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name(2R)-4-(4-hydroxycyclohexanecarbonyl)-1-methylpiperazine-2-carboxylic acid
SMILESCN1CCN(C(=O)C2CCC(O)CC2)C[C@@H]1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-14-6-7-15(8-11(14)13(18)19)12(17)9-2-4-10(16)5-3-9/h9-11,16H,2-8H2,1H3,(H,18,19)/t9?,10?,11-/m1/s1
InChIKeyIISRNKYCWVMSQN-VQXHTEKXSA-N
XLogP-0.24
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783353
(2S)-4-(cyclopentanecarbonyl)-1-methylpiperazine-2-carboxamide
CID 124992011
(2S)-4-carbamoyl-1-methylpiperazine-2-carboxylic acid
CID 163477906
4-(4-hydroxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782265
1-[(3R)-1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-3-yl]ethanone
CID 168882604
4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783969
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
1-(1-methylpyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 110837391
cyclobutyl-[4-(1-methylazepane-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 131912157
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
(3-aminopiperidin-1-yl)-(4-hydroxycyclohexyl)methanone
CID 112531005
1-(1-methylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid
CID 110837392

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-hydroxycyclohexanecarbonyl)-1-methylpiperazine-2-carboxylic acid?
The IUPAC name of (2R)-4-(4-hydroxycyclohexanecarbonyl)-1-methylpiperazine-2-carboxylic acid (CID 98265692) is (2R)-4-(4-hydroxycyclohexanecarbonyl)-1-methylpiperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-(4-hydroxycyclohexanecarbonyl)-1-methylpiperazine-2-carboxylic acid?
The canonical SMILES for (2R)-4-(4-hydroxycyclohexanecarbonyl)-1-methylpiperazine-2-carboxylic acid is CN1CCN(C(=O)C2CCC(O)CC2)C[C@@H]1C(=O)O.
What is the InChIKey of (2R)-4-(4-hydroxycyclohexanecarbonyl)-1-methylpiperazine-2-carboxylic acid?
The InChIKey is IISRNKYCWVMSQN-VQXHTEKXSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-14-6-7-15(8-11(14)13(18)19)12(17)9-2-4-10(16)5-3-9/h9-11,16H,2-8H2,1H3,(H,18,19)/t9?,10?,11-/m1/s1.
What are the key properties of (2R)-4-(4-hydroxycyclohexanecarbonyl)-1-methylpiperazine-2-carboxylic acid?
(2R)-4-(4-hydroxycyclohexanecarbonyl)-1-methylpiperazine-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-hydroxycyclohexanecarbonyl)-1-methylpiperazine-2-carboxylic acid is sourced from PubChem (CID 98265692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).