cis-(1S,2R)-2-(3,4-dimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid

C13H22N2O3 — CID 114092330

IUPACcis-(1S,2R)-2-(3,4-dimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1CN(C(=O)[C@@H]2CCC[C@@H]2C(=O)O)CCN1C
InChIInChI=1S/C13H22N2O3/c1-9-8-15(7-6-14(9)2)12(16)10-4-3-5-11(10)13(17)18/h9-11H,3-8H2,1-2H3,(H,17,18)/t9?,10-,11+/m1/s1
InChIKeyBLOHDEMNVWAIRK-ZOCYIJKUSA-N
MW254.33 g/mol
LogP0.65
Rot. Bonds2

About cis-(1S,2R)-2-(3,4-dimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid

cis-(1S,2R)-2-(3,4-dimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 114092330) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is cis-(1S,2R)-2-(3,4-dimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-(3,4-dimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID114092330
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Namecis-(1S,2R)-2-(3,4-dimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1CN(C(=O)[C@@H]2CCC[C@@H]2C(=O)O)CCN1C
InChIInChI=1S/C13H22N2O3/c1-9-8-15(7-6-14(9)2)12(16)10-4-3-5-11(10)13(17)18/h9-11H,3-8H2,1-2H3,(H,17,18)/t9?,10-,11+/m1/s1
InChIKeyBLOHDEMNVWAIRK-ZOCYIJKUSA-N
XLogP0.65
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethyl-4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978778
2-[4-(2-carboxycyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 4025165
4-(3,4-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783353
2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 16786759
2-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63610170
2-(3,4-dimethylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978927
(3R)-1-[(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]piperidine-3-carboxylic acid
CID 100629246
2-(4,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978731
1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 107175062
cis-(1S,2R)-2-(3-carbamoylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091476
trans-(1S,2S)-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124723311
2-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 3475386

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(3,4-dimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-(3,4-dimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid (CID 114092330) is cis-(1S,2R)-2-(3,4-dimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-(3,4-dimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-(3,4-dimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid is CC1CN(C(=O)[C@@H]2CCC[C@@H]2C(=O)O)CCN1C.
What is the InChIKey of cis-(1S,2R)-2-(3,4-dimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is BLOHDEMNVWAIRK-ZOCYIJKUSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9-8-15(7-6-14(9)2)12(16)10-4-3-5-11(10)13(17)18/h9-11H,3-8H2,1-2H3,(H,17,18)/t9?,10-,11+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(3,4-dimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-(3,4-dimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(3,4-dimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114092330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).