3-(4-cyclopropylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid

C15H24N2O3 — CID 63782292

IUPAC3-(4-cyclopropylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)N2CCN(C3CC3)CC2)C1
InChIInChI=1S/C15H24N2O3/c18-14(11-2-1-3-12(10-11)15(19)20)17-8-6-16(7-9-17)13-4-5-13/h11-13H,1-10H2,(H,19,20)
InChIKeyDIJXLYFNCGHEOX-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.18
Rot. Bonds3

About 3-(4-cyclopropylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid

3-(4-cyclopropylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 63782292) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(4-cyclopropylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-cyclopropylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID63782292
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-(4-cyclopropylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)N2CCN(C3CC3)CC2)C1
InChIInChI=1S/C15H24N2O3/c18-14(11-2-1-3-12(10-11)15(19)20)17-8-6-16(7-9-17)13-4-5-13/h11-13H,1-10H2,(H,19,20)
InChIKeyDIJXLYFNCGHEOX-UHFFFAOYSA-N
XLogP1.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 139534269
cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947
3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63789770
3-(thiomorpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63782956
(3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
CID 119887153
cis-(1S,2R)-2-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 114092241
[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 112815528
trans-(1R,3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124513759
3-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63790111
cis-(1R,3S)-3-[4-(2,3-dihydro-1H-inden-2-yl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid;formic acid
CID 154906785
3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 70920708
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(4-cyclopropylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid (CID 63782292) is 3-(4-cyclopropylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(4-cyclopropylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(4-cyclopropylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(C(=O)N2CCN(C3CC3)CC2)C1.
What is the InChIKey of 3-(4-cyclopropylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is DIJXLYFNCGHEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c18-14(11-2-1-3-12(10-11)15(19)20)17-8-6-16(7-9-17)13-4-5-13/h11-13H,1-10H2,(H,19,20).
What are the key properties of 3-(4-cyclopropylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
3-(4-cyclopropylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63782292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).