4-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperazine-1-carboxylic acid

C19H25ClN2O3 — CID 174510521

IUPAC4-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(C(=O)C(c2cccc(Cl)c2)C2CCCCC2)CC1
InChIInChI=1S/C19H25ClN2O3/c20-16-8-4-7-15(13-16)17(14-5-2-1-3-6-14)18(23)21-9-11-22(12-10-21)19(24)25/h4,7-8,13-14,17H,1-3,5-6,9-12H2,(H,24,25)
InChIKeyLZYWPCOKHAJRCA-UHFFFAOYSA-N
MW364.87 g/mol
LogP3.83
Rot. Bonds3

About 4-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperazine-1-carboxylic acid

4-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperazine-1-carboxylic acid (PubChem CID 174510521) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperazine-1-carboxylic acid
PubChem CID174510521
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name4-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(C(=O)C(c2cccc(Cl)c2)C2CCCCC2)CC1
InChIInChI=1S/C19H25ClN2O3/c20-16-8-4-7-15(13-16)17(14-5-2-1-3-6-14)18(23)21-9-11-22(12-10-21)19(24)25/h4,7-8,13-14,17H,1-3,5-6,9-12H2,(H,24,25)
InChIKeyLZYWPCOKHAJRCA-UHFFFAOYSA-N
XLogP3.83
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperidin-4-yl] N-tert-butylcarbamate
CID 90756258
4-[2-(4-chlorophenyl)-2-cyclopentylacetyl]piperazine-1-carbaldehyde
CID 110408599
[2-(3-chlorophenyl)-2-cyclopentylacetyl] piperazine-1-carboxylate
CID 141128599
2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 110406993
2-(3-bromophenyl)-2-cyclohexyl-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 152517350
1-(3-chlorophenyl)-2-cyclohexylethane-1,2-diol
CID 103459098
1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 95543173
1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 125134350
2-(3-chlorophenyl)-N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]octan-7-yl]acetamide
CID 11257349
5-[4-(2-cyclopentyl-2-phenylacetyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 91777949
2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 122664615
1-[4-[1-(3-chlorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747786

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperazine-1-carboxylic acid (CID 174510521) is 4-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperazine-1-carboxylic acid is O=C(O)N1CCN(C(=O)C(c2cccc(Cl)c2)C2CCCCC2)CC1.
What is the InChIKey of 4-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperazine-1-carboxylic acid?
The InChIKey is LZYWPCOKHAJRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O3/c20-16-8-4-7-15(13-16)17(14-5-2-1-3-6-14)18(23)21-9-11-22(12-10-21)19(24)25/h4,7-8,13-14,17H,1-3,5-6,9-12H2,(H,24,25).
What are the key properties of 4-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperazine-1-carboxylic acid?
4-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperazine-1-carboxylic acid has a molecular weight of 364.87 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 174510521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).