[(3R)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone

C22H27FN4O — CID 95819446

IUPAC[(3R)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)N2CCC[C@@H](c3nccnc3-c3cccc(F)c3)C2)CC1
InChIInChI=1S/C22H27FN4O/c1-26-12-7-16(8-13-26)22(28)27-11-3-5-18(15-27)21-20(24-9-10-25-21)17-4-2-6-19(23)14-17/h2,4,6,9-10,14,16,18H,3,5,7-8,11-13,15H2,1H3/t18-/m1/s1
InChIKeyJWLOAZYIPCNKLJ-GOSISDBHSA-N
MW382.48 g/mol
LogP3.33
Rot. Bonds3

About [(3R)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone

[(3R)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone (PubChem CID 95819446) has the molecular formula C22H27FN4O and a molecular weight of 382.48 g/mol. Its IUPAC name is [(3R)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
PubChem CID95819446
Molecular FormulaC22H27FN4O
Molecular Weight382.48 g/mol
Exact Mass382.22
IUPAC Name[(3R)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)N2CCC[C@@H](c3nccnc3-c3cccc(F)c3)C2)CC1
InChIInChI=1S/C22H27FN4O/c1-26-12-7-16(8-13-26)22(28)27-11-3-5-18(15-27)21-20(24-9-10-25-21)17-4-2-6-19(23)14-17/h2,4,6,9-10,14,16,18H,3,5,7-8,11-13,15H2,1H3/t18-/m1/s1
InChIKeyJWLOAZYIPCNKLJ-GOSISDBHSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 110256734
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-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110255118
[(3S)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95819269
3-(4-fluorophenyl)-1-[(3S)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95819418
3-[3-(3-fluorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110254997
1-[3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110255007
3-[6-[(3S)-1-(1-methylpiperidine-4-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 95810732
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818691
[3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 110249997
[(3S)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 95823451

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The IUPAC name of [(3R)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone (CID 95819446) is [(3R)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone.
What is the SMILES notation for [(3R)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The canonical SMILES for [(3R)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone is CN1CCC(C(=O)N2CCC[C@@H](c3nccnc3-c3cccc(F)c3)C2)CC1.
What is the InChIKey of [(3R)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The InChIKey is JWLOAZYIPCNKLJ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H27FN4O/c1-26-12-7-16(8-13-26)22(28)27-11-3-5-18(15-27)21-20(24-9-10-25-21)17-4-2-6-19(23)14-17/h2,4,6,9-10,14,16,18H,3,5,7-8,11-13,15H2,1H3/t18-/m1/s1.
What are the key properties of [(3R)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
[(3R)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone has a molecular weight of 382.48 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 95819446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).