1-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid

C14H22N2O3 — CID 62369000

IUPAC1-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)N2CCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C14H22N2O3/c17-12(14(5-6-14)13(18)19)16-9-7-15(8-10-16)11-3-1-2-4-11/h11H,1-10H2,(H,18,19)
InChIKeyCILOIHAORRYTDB-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.94
Rot. Bonds3

About 1-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid

1-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 62369000) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID62369000
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)N2CCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C14H22N2O3/c17-12(14(5-6-14)13(18)19)16-9-7-15(8-10-16)11-3-1-2-4-11/h11H,1-10H2,(H,18,19)
InChIKeyCILOIHAORRYTDB-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 120691009
(1-aminocyclopentyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
CID 119843053
1-[(4-cyclopentylpiperazine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81155811
1-(4-cyclopropylpiperazine-1-carbonyl)cyclobutane-1-carbothioamide
CID 80589211
1,4-dicyclopentylpiperazine;oxalic acid
CID 17369822
1-(4-aminopiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 62097142
1-(piperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 62096399
(4-cyclopentylpiperazin-1-yl)-(2,2-dichloro-1-methylcyclopropyl)methanone
CID 134020620
1-(4-methylpiperazine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 62097632
1-(4-methylsulfonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 55135259
4-cyclopentylpiperazine-1-carboxamide
CID 57205906
1-(4-cyclopentylpiperazin-1-yl)ethanone;ethane
CID 143413632

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid (CID 62369000) is 1-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid is O=C(O)C1(C(=O)N2CCN(C3CCCC3)CC2)CC1.
What is the InChIKey of 1-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is CILOIHAORRYTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c17-12(14(5-6-14)13(18)19)16-9-7-15(8-10-16)11-3-1-2-4-11/h11H,1-10H2,(H,18,19).
What are the key properties of 1-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid?
1-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62369000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).