4-[2-[(3R)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one

C24H29FN4O2 — CID 95814535

IUPAC4-[2-[(3R)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESCc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)CN3CCNC(=O)C3)C2)n1
InChIInChI=1S/C24H29FN4O2/c1-17-11-19(12-18-4-6-21(25)7-5-18)13-22(27-17)20-3-2-9-29(14-20)24(31)16-28-10-8-26-23(30)15-28/h4-7,11,13,20H,2-3,8-10,12,14-16H2,1H3,(H,26,30)/t20-/m1/s1
InChIKeyJQXOUYBMNRZANR-HXUWFJFHSA-N
MW424.52 g/mol
LogP2.26
Rot. Bonds5

About 4-[2-[(3R)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one

4-[2-[(3R)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one (PubChem CID 95814535) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is 4-[2-[(3R)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-[(3R)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one
PubChem CID95814535
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC Name4-[2-[(3R)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESCc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)CN3CCNC(=O)C3)C2)n1
InChIInChI=1S/C24H29FN4O2/c1-17-11-19(12-18-4-6-21(25)7-5-18)13-22(27-17)20-3-2-9-29(14-20)24(31)16-28-10-8-26-23(30)15-28/h4-7,11,13,20H,2-3,8-10,12,14-16H2,1H3,(H,26,30)/t20-/m1/s1
InChIKeyJQXOUYBMNRZANR-HXUWFJFHSA-N
XLogP2.26
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(3R)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one with MolForge

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Related Compounds

1-[2-[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95834730
[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95816441
[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95816331
[2-(dimethylamino)-6-methylpyrimidin-4-yl]-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110252773
N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110264862
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[(3S)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
CID 95814426
1-[(3R)-3-[6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 95834685
1-[(3R)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95816388
[3-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110253819
1-[3-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 110253844
4-(azepan-1-yl)-1-[(2S)-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]butan-1-one
CID 92615219
1-[4-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-yl)ethanone
CID 110263692

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3R)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one?
The IUPAC name of 4-[2-[(3R)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one (CID 95814535) is 4-[2-[(3R)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 4-[2-[(3R)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 4-[2-[(3R)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one is Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)CN3CCNC(=O)C3)C2)n1.
What is the InChIKey of 4-[2-[(3R)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one?
The InChIKey is JQXOUYBMNRZANR-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-17-11-19(12-18-4-6-21(25)7-5-18)13-22(27-17)20-3-2-9-29(14-20)24(31)16-28-10-8-26-23(30)15-28/h4-7,11,13,20H,2-3,8-10,12,14-16H2,1H3,(H,26,30)/t20-/m1/s1.
What are the key properties of 4-[2-[(3R)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one?
4-[2-[(3R)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one has a molecular weight of 424.52 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3R)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 95814535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).