2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid

C18H24N2O3 — CID 2933500

IUPAC2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H24N2O3/c21-17(15-8-4-5-9-16(15)18(22)23)20-12-10-19(11-13-20)14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,22,23)
InChIKeyIVBNPKKPTFYBLS-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.23
Rot. Bonds3

About 2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid

2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 2933500) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID2933500
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H24N2O3/c21-17(15-8-4-5-9-16(15)18(22)23)20-12-10-19(11-13-20)14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,22,23)
InChIKeyIVBNPKKPTFYBLS-UHFFFAOYSA-N
XLogP2.23
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 873866
cis-(1R,2S)-2-[4-(4-chlorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 7308003
trans-(1S,2S)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 873868
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 2886463
(2-aminocyclohexyl)-(4-phenylpiperazin-1-yl)methanone
CID 64818303
(2-hydroxycyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 110013572
2-[4-(2-carboxycyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 4025165
2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 3696212
[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 109132218
trans-(1S,2S)-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 753081
2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 16786759
[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 96588049

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid (CID 2933500) is 2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is IVBNPKKPTFYBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17(15-8-4-5-9-16(15)18(22)23)20-12-10-19(11-13-20)14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,22,23).
What are the key properties of 2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 316.40 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2933500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).