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

C22H27N3O — CID 95819177

IUPACcyclopentyl-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)C3CCCC3)C2)c1
InChIInChI=1S/C22H27N3O/c1-16-6-4-9-18(14-16)20-21(24-12-11-23-20)19-10-5-13-25(15-19)22(26)17-7-2-3-8-17/h4,6,9,11-12,14,17,19H,2-3,5,7-8,10,13,15H2,1H3/t19-/m1/s1
InChIKeyUDJGYJLRJWKBBX-LJQANCHMSA-N
MW349.48 g/mol
LogP4.35
Rot. Bonds3

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

cyclopentyl-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 95819177) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is cyclopentyl-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
PubChem CID95819177
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Namecyclopentyl-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)C3CCCC3)C2)c1
InChIInChI=1S/C22H27N3O/c1-16-6-4-9-18(14-16)20-21(24-12-11-23-20)19-10-5-13-25(15-19)22(26)17-7-2-3-8-17/h4,6,9,11-12,14,17,19H,2-3,5,7-8,10,13,15H2,1H3/t19-/m1/s1
InChIKeyUDJGYJLRJWKBBX-LJQANCHMSA-N
XLogP4.35
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819187
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818691
[(3R)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 95819446
1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenylethanone
CID 110254922
cyclopentyl-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093558
1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 110255017
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95819263
1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95819217
[(3S)-3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 42162188
cyclopentyl-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95809983
cyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone
CID 124980635
N-[3-[3-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 95819324

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone (CID 95819177) is cyclopentyl-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone is Cc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)C3CCCC3)C2)c1.
What is the InChIKey of cyclopentyl-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone?
The InChIKey is UDJGYJLRJWKBBX-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27N3O/c1-16-6-4-9-18(14-16)20-21(24-12-11-23-20)19-10-5-13-25(15-19)22(26)17-7-2-3-8-17/h4,6,9,11-12,14,17,19H,2-3,5,7-8,10,13,15H2,1H3/t19-/m1/s1.
What are the key properties of cyclopentyl-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone?
cyclopentyl-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 349.48 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 95819177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).