2-(3-chlorophenyl)-3-(1-cyclopentylpiperidin-3-yl)pyrazine

C20H24ClN3 — CID 110254777

IUPAC2-(3-chlorophenyl)-3-(1-cyclopentylpiperidin-3-yl)pyrazine
SMILESClc1cccc(-c2nccnc2C2CCCN(C3CCCC3)C2)c1
InChIInChI=1S/C20H24ClN3/c21-17-7-3-5-15(13-17)19-20(23-11-10-22-19)16-6-4-12-24(14-16)18-8-1-2-9-18/h3,5,7,10-11,13,16,18H,1-2,4,6,8-9,12,14H2
InChIKeyULEHLQNJCWGEKD-UHFFFAOYSA-N
MW341.89 g/mol
LogP4.92
Rot. Bonds3

About 2-(3-chlorophenyl)-3-(1-cyclopentylpiperidin-3-yl)pyrazine

2-(3-chlorophenyl)-3-(1-cyclopentylpiperidin-3-yl)pyrazine (PubChem CID 110254777) has the molecular formula C20H24ClN3 and a molecular weight of 341.89 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(1-cyclopentylpiperidin-3-yl)pyrazine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(1-cyclopentylpiperidin-3-yl)pyrazine
PubChem CID110254777
Molecular FormulaC20H24ClN3
Molecular Weight341.89 g/mol
Exact Mass341.17
IUPAC Name2-(3-chlorophenyl)-3-(1-cyclopentylpiperidin-3-yl)pyrazine
SMILESClc1cccc(-c2nccnc2C2CCCN(C3CCCC3)C2)c1
InChIInChI=1S/C20H24ClN3/c21-17-7-3-5-15(13-17)19-20(23-11-10-22-19)16-6-4-12-24(14-16)18-8-1-2-9-18/h3,5,7,10-11,13,16,18H,1-2,4,6,8-9,12,14H2
InChIKeyULEHLQNJCWGEKD-UHFFFAOYSA-N
XLogP4.92
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-1-cyclopentylpiperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]pyrazine
CID 95818569
(3R)-3-[3-(3-chlorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95819020
1-[3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 110089878
[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95818946
1-[4-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]piperidin-1-yl]ethanone
CID 95819344
N-[4-[[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 95819285
2-(1-cyclopentylpiperidin-3-yl)-3-(3-methylimidazol-4-yl)pyrazine
CID 110110158
cyclopentyl-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819177
cyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819187
3-[3-[(3S)-1-benzylpiperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818592
3-[3-(3-fluorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110254997
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818691

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(1-cyclopentylpiperidin-3-yl)pyrazine?
The IUPAC name of 2-(3-chlorophenyl)-3-(1-cyclopentylpiperidin-3-yl)pyrazine (CID 110254777) is 2-(3-chlorophenyl)-3-(1-cyclopentylpiperidin-3-yl)pyrazine.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(1-cyclopentylpiperidin-3-yl)pyrazine?
The canonical SMILES for 2-(3-chlorophenyl)-3-(1-cyclopentylpiperidin-3-yl)pyrazine is Clc1cccc(-c2nccnc2C2CCCN(C3CCCC3)C2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(1-cyclopentylpiperidin-3-yl)pyrazine?
The InChIKey is ULEHLQNJCWGEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3/c21-17-7-3-5-15(13-17)19-20(23-11-10-22-19)16-6-4-12-24(14-16)18-8-1-2-9-18/h3,5,7,10-11,13,16,18H,1-2,4,6,8-9,12,14H2.
What are the key properties of 2-(3-chlorophenyl)-3-(1-cyclopentylpiperidin-3-yl)pyrazine?
2-(3-chlorophenyl)-3-(1-cyclopentylpiperidin-3-yl)pyrazine has a molecular weight of 341.89 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(1-cyclopentylpiperidin-3-yl)pyrazine is sourced from PubChem (CID 110254777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).