4-methyl-2-(4-prop-2-ynylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid

C15H22N2O3 — CID 114390717

IUPAC4-methyl-2-(4-prop-2-ynylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESC#CCN1CCN(C(=O)C2CC(C)CC2C(=O)O)CC1
InChIInChI=1S/C15H22N2O3/c1-3-4-16-5-7-17(8-6-16)14(18)12-9-11(2)10-13(12)15(19)20/h1,11-13H,4-10H2,2H3,(H,19,20)
InChIKeyQYPPCDRNNGYLJN-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.51
Rot. Bonds3

About 4-methyl-2-(4-prop-2-ynylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid

4-methyl-2-(4-prop-2-ynylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 114390717) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-methyl-2-(4-prop-2-ynylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(4-prop-2-ynylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID114390717
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-methyl-2-(4-prop-2-ynylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESC#CCN1CCN(C(=O)C2CC(C)CC2C(=O)O)CC1
InChIInChI=1S/C15H22N2O3/c1-3-4-16-5-7-17(8-6-16)14(18)12-9-11(2)10-13(12)15(19)20/h1,11-13H,4-10H2,2H3,(H,19,20)
InChIKeyQYPPCDRNNGYLJN-UHFFFAOYSA-N
XLogP0.51
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2-aminocyclopropyl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 82235754
2-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792822
cis-(1S,2R)-2-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93377074
4-methyl-2-(piperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114390795
2-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60950003
cis-(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311514
2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 54918475
cis-(1S,2R)-2-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93379447
2-hydroxy-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
CID 130608896
trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311543
2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792176
[2-(3-fluorophenyl)cyclopropyl]-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 86862023

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-prop-2-ynylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-(4-prop-2-ynylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid (CID 114390717) is 4-methyl-2-(4-prop-2-ynylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(4-prop-2-ynylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-(4-prop-2-ynylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid is C#CCN1CCN(C(=O)C2CC(C)CC2C(=O)O)CC1.
What is the InChIKey of 4-methyl-2-(4-prop-2-ynylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is QYPPCDRNNGYLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-4-16-5-7-17(8-6-16)14(18)12-9-11(2)10-13(12)15(19)20/h1,11-13H,4-10H2,2H3,(H,19,20).
What are the key properties of 4-methyl-2-(4-prop-2-ynylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
4-methyl-2-(4-prop-2-ynylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-prop-2-ynylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114390717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).