4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid

C21H34N2O4 — CID 120673013

IUPAC4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)CC1
InChIInChI=1S/C21H34N2O4/c24-19(11-6-16-4-2-1-3-5-16)22-12-14-23(15-13-22)20(25)17-7-9-18(10-8-17)21(26)27/h16-18H,1-15H2,(H,26,27)
InChIKeyWPQIRYZAUIMYAO-UHFFFAOYSA-N
MW378.51 g/mol
LogP2.91
Rot. Bonds5

About 4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid

4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 120673013) has the molecular formula C21H34N2O4 and a molecular weight of 378.51 g/mol. Its IUPAC name is 4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID120673013
Molecular FormulaC21H34N2O4
Molecular Weight378.51 g/mol
Exact Mass378.25
IUPAC Name4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)CC1
InChIInChI=1S/C21H34N2O4/c24-19(11-6-16-4-2-1-3-5-16)22-12-14-23(15-13-22)20(25)17-7-9-18(10-8-17)21(26)27/h16-18H,1-15H2,(H,26,27)
InChIKeyWPQIRYZAUIMYAO-UHFFFAOYSA-N
XLogP2.91
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]propan-1-one
CID 119300396
1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 119715746
4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120691002
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid
CID 43354138
3-cyclohexyl-1-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one
CID 55916326
4-(3-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid
CID 67493280
1-(3-cyclobutylpropanoyl)pyrrolidine-3-carboxylic acid
CID 119355276
1-[4-(2-chloroacetyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 108569580
1-[4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 120985208
1-(3-cyclohexylpropanoyl)piperidine-4-carboxamide
CID 17312024
4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide
CID 61067621

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid (CID 120673013) is 4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)CC1.
What is the InChIKey of 4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is WPQIRYZAUIMYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O4/c24-19(11-6-16-4-2-1-3-5-16)22-12-14-23(15-13-22)20(25)17-7-9-18(10-8-17)21(26)27/h16-18H,1-15H2,(H,26,27).
What are the key properties of 4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid?
4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 378.51 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).