4-(4-chlorophenoxy)-1-pyrazin-2-ylpiperidine-4-carboxylic acid

C16H16ClN3O3 — CID 70760936

IUPAC4-(4-chlorophenoxy)-1-pyrazin-2-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(Oc2ccc(Cl)cc2)CCN(c2cnccn2)CC1
InChIInChI=1S/C16H16ClN3O3/c17-12-1-3-13(4-2-12)23-16(15(21)22)5-9-20(10-6-16)14-11-18-7-8-19-14/h1-4,7-8,11H,5-6,9-10H2,(H,21,22)
InChIKeyGPEUDABANNCSSJ-UHFFFAOYSA-N
MW333.77 g/mol
LogP2.63
Rot. Bonds4

About 4-(4-chlorophenoxy)-1-pyrazin-2-ylpiperidine-4-carboxylic acid

4-(4-chlorophenoxy)-1-pyrazin-2-ylpiperidine-4-carboxylic acid (PubChem CID 70760936) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.77 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-1-pyrazin-2-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-1-pyrazin-2-ylpiperidine-4-carboxylic acid
PubChem CID70760936
Molecular FormulaC16H16ClN3O3
Molecular Weight333.77 g/mol
Exact Mass333.09
IUPAC Name4-(4-chlorophenoxy)-1-pyrazin-2-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(Oc2ccc(Cl)cc2)CCN(c2cnccn2)CC1
InChIInChI=1S/C16H16ClN3O3/c17-12-1-3-13(4-2-12)23-16(15(21)22)5-9-20(10-6-16)14-11-18-7-8-19-14/h1-4,7-8,11H,5-6,9-10H2,(H,21,22)
InChIKeyGPEUDABANNCSSJ-UHFFFAOYSA-N
XLogP2.63
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chlorophenyl)-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
CID 122132459
4-(4-chlorophenoxy)-1-(3-phenylpropyl)piperidine-4-carboxylic acid
CID 70736989
4-(4-chlorophenoxy)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxylic acid
CID 70738535
N-[5-(4-chlorophenoxy)-2-pyridinyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 167808965
4-(3-fluorophenoxy)-1-pyridin-4-ylpiperidine-4-carboxylic acid
CID 56891308
4-[5-[2-(4-chlorophenoxy)ethyl]-4-methyl-1,3-thiazol-2-yl]-1-pyrazin-2-ylazepan-4-ol
CID 127252163
[2-(4-chlorophenyl)azepan-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone
CID 126769241
1-(2-methylpyrimidin-4-yl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid
CID 70724770
(4-chlorophenyl)-[4-(1-pyrazin-2-ylpyrrolidin-3-yl)piperazin-1-yl]methanone
CID 143256088
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
CID 42954799
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 36998536
4-(3-fluorophenoxy)-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid
CID 56912254

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-1-pyrazin-2-ylpiperidine-4-carboxylic acid?
The IUPAC name of 4-(4-chlorophenoxy)-1-pyrazin-2-ylpiperidine-4-carboxylic acid (CID 70760936) is 4-(4-chlorophenoxy)-1-pyrazin-2-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-(4-chlorophenoxy)-1-pyrazin-2-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-(4-chlorophenoxy)-1-pyrazin-2-ylpiperidine-4-carboxylic acid is O=C(O)C1(Oc2ccc(Cl)cc2)CCN(c2cnccn2)CC1.
What is the InChIKey of 4-(4-chlorophenoxy)-1-pyrazin-2-ylpiperidine-4-carboxylic acid?
The InChIKey is GPEUDABANNCSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c17-12-1-3-13(4-2-12)23-16(15(21)22)5-9-20(10-6-16)14-11-18-7-8-19-14/h1-4,7-8,11H,5-6,9-10H2,(H,21,22).
What are the key properties of 4-(4-chlorophenoxy)-1-pyrazin-2-ylpiperidine-4-carboxylic acid?
4-(4-chlorophenoxy)-1-pyrazin-2-ylpiperidine-4-carboxylic acid has a molecular weight of 333.77 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-1-pyrazin-2-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 70760936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).