1-phenoxy-2-(4-pyridin-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid

C22H27N3O3 — CID 67647279

IUPAC1-phenoxy-2-(4-pyridin-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Oc2ccccc2)CCCCC1N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H27N3O3/c26-21(27)22(28-18-8-2-1-3-9-18)12-6-4-10-19(22)24-14-16-25(17-15-24)20-11-5-7-13-23-20/h1-3,5,7-9,11,13,19H,4,6,10,12,14-17H2,(H,26,27)
InChIKeyGORYHCWVUOZFLC-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.05
Rot. Bonds5

About 1-phenoxy-2-(4-pyridin-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid

1-phenoxy-2-(4-pyridin-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 67647279) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-phenoxy-2-(4-pyridin-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-phenoxy-2-(4-pyridin-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID67647279
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-phenoxy-2-(4-pyridin-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Oc2ccccc2)CCCCC1N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H27N3O3/c26-21(27)22(28-18-8-2-1-3-9-18)12-6-4-10-19(22)24-14-16-25(17-15-24)20-11-5-7-13-23-20/h1-3,5,7-9,11,13,19H,4,6,10,12,14-17H2,(H,26,27)
InChIKeyGORYHCWVUOZFLC-UHFFFAOYSA-N
XLogP3.05
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 62271935
(4-phenoxyphenyl)-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 90146309
1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine
CID 126893395
3-(4-pyridin-2-ylpiperazin-1-yl)azepane
CID 62642071
(1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854882
2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)cyclopentan-1-one
CID 167926790
3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde
CID 123583794
2-(4-pyridin-2-ylpiperazin-1-yl)cyclopentan-1-amine
CID 60725656
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde
CID 142272690
(3aS,7aS)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7974830
3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]azepan-2-one
CID 126893583

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-2-(4-pyridin-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-phenoxy-2-(4-pyridin-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid (CID 67647279) is 1-phenoxy-2-(4-pyridin-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-phenoxy-2-(4-pyridin-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-phenoxy-2-(4-pyridin-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid is O=C(O)C1(Oc2ccccc2)CCCCC1N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-phenoxy-2-(4-pyridin-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is GORYHCWVUOZFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c26-21(27)22(28-18-8-2-1-3-9-18)12-6-4-10-19(22)24-14-16-25(17-15-24)20-11-5-7-13-23-20/h1-3,5,7-9,11,13,19H,4,6,10,12,14-17H2,(H,26,27).
What are the key properties of 1-phenoxy-2-(4-pyridin-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
1-phenoxy-2-(4-pyridin-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 381.48 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-2-(4-pyridin-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 67647279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).