cis-(1S,2R)-2-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid

C14H22N2O3 — CID 114092241

IUPACcis-(1S,2R)-2-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C14H22N2O3/c17-13(11-9-12(11)14(18)19)16-7-5-15(6-8-16)10-3-1-2-4-10/h10-12H,1-9H2,(H,18,19)/t11-,12+/m1/s1
InChIKeyGBKWGAZZWXZPHX-NEPJUHHUSA-N
MW266.34 g/mol
LogP0.79
Rot. Bonds3

About cis-(1S,2R)-2-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 114092241) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is cis-(1S,2R)-2-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID114092241
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namecis-(1S,2R)-2-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C14H22N2O3/c17-13(11-9-12(11)14(18)19)16-7-5-15(6-8-16)10-3-1-2-4-10/h10-12H,1-9H2,(H,18,19)/t11-,12+/m1/s1
InChIKeyGBKWGAZZWXZPHX-NEPJUHHUSA-N
XLogP0.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311514
trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311543
2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792176
[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 112815528
2-[4-(2-carboxycyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 4025165
cis-(1S,2R)-2-(4-cyclopentyloxypiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 129467392
3-(4-cyclopropylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782292
trans-methyl (1S,2S)-2-(4-cyclopropylpiperazine-1-carbonyl)cyclopropane-1-carboxylate
CID 97062484
3-(4-cyclohexylpiperazine-1-carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 6465662
cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947
1,4-dicyclopentylpiperazine;oxalic acid
CID 17369822
cis-(1R,2S)-2-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 125119641

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid (CID 114092241) is cis-(1S,2R)-2-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid is O=C(O)[C@H]1C[C@H]1C(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of cis-(1S,2R)-2-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is GBKWGAZZWXZPHX-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H22N2O3/c17-13(11-9-12(11)14(18)19)16-7-5-15(6-8-16)10-3-1-2-4-10/h10-12H,1-9H2,(H,18,19)/t11-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 114092241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).