cyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone

C22H27N3O2 — CID 95819187

IUPACcyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)C3CCCC3)C2)c1
InChIInChI=1S/C22H27N3O2/c1-27-19-10-4-8-17(14-19)20-21(24-12-11-23-20)18-9-5-13-25(15-18)22(26)16-6-2-3-7-16/h4,8,10-12,14,16,18H,2-3,5-7,9,13,15H2,1H3/t18-/m1/s1
InChIKeyAZPZBCLYVMOJAO-GOSISDBHSA-N
MW365.48 g/mol
LogP4.05
Rot. Bonds4

About cyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone

cyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 95819187) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is cyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
PubChem CID95819187
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Namecyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)C3CCCC3)C2)c1
InChIInChI=1S/C22H27N3O2/c1-27-19-10-4-8-17(14-19)20-21(24-12-11-23-20)18-9-5-13-25(15-18)22(26)16-6-2-3-7-16/h4,8,10-12,14,16,18H,2-3,5-7,9,13,15H2,1H3/t18-/m1/s1
InChIKeyAZPZBCLYVMOJAO-GOSISDBHSA-N
XLogP4.05
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819177
[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818963
cyclobutyl-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95809673
1-[4-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]piperidin-1-yl]ethanone
CID 95819344
[(3S)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95819273
[(3R)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 95819446
[3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 110249997
1-[3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110255007
1-[3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 110089878
[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95809539
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818691
N-[3-[3-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 110254948

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone (CID 95819187) is cyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone is COc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)C3CCCC3)C2)c1.
What is the InChIKey of cyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone?
The InChIKey is AZPZBCLYVMOJAO-GOSISDBHSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-27-19-10-4-8-17(14-19)20-21(24-12-11-23-20)18-9-5-13-25(15-18)22(26)16-6-2-3-7-16/h4,8,10-12,14,16,18H,2-3,5-7,9,13,15H2,1H3/t18-/m1/s1.
What are the key properties of cyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone?
cyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 365.48 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 95819187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).