1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]methyl]piperidin-2-one

C27H38N4O2 — CID 11597590

IUPAC1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]methyl]piperidin-2-one
SMILESCC1CN(c2ccccc2CC2CCCN(c3ccc(C(C)(C)O)nc3)C2=O)CC(C)N1C
InChIInChI=1S/C27H38N4O2/c1-19-17-30(18-20(2)29(19)5)24-11-7-6-9-21(24)15-22-10-8-14-31(26(22)32)23-12-13-25(28-16-23)27(3,4)33/h6-7,9,11-13,16,19-20,22,33H,8,10,14-15,17-18H2,1-5H3
InChIKeyGFEVYAVXYPXWOQ-UHFFFAOYSA-N
MW450.63 g/mol
LogP3.82
Rot. Bonds5

About 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]methyl]piperidin-2-one

1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]methyl]piperidin-2-one (PubChem CID 11597590) has the molecular formula C27H38N4O2 and a molecular weight of 450.63 g/mol. Its IUPAC name is 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]methyl]piperidin-2-one
PubChem CID11597590
Molecular FormulaC27H38N4O2
Molecular Weight450.63 g/mol
Exact Mass450.30
IUPAC Name1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]methyl]piperidin-2-one
SMILESCC1CN(c2ccccc2CC2CCCN(c3ccc(C(C)(C)O)nc3)C2=O)CC(C)N1C
InChIInChI=1S/C27H38N4O2/c1-19-17-30(18-20(2)29(19)5)24-11-7-6-9-21(24)15-22-10-8-14-31(26(22)32)23-12-13-25(28-16-23)27(3,4)33/h6-7,9,11-13,16,19-20,22,33H,8,10,14-15,17-18H2,1-5H3
InChIKeyGFEVYAVXYPXWOQ-UHFFFAOYSA-N
XLogP3.82
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]methyl]piperidin-2-one with MolForge

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Related Compounds

[4-(3-Hydroxy-3-phenyl-3-pyridin-3-yl-propionyl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10411043
3-ethyl-7-[[4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 168276307
1-[4-(2-Hydroxy-2-phenylethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 53625067
5-[4-[(2S)-2-[(2-phenylacetyl)amino]-6-(prop-2-enoylamino)hexanoyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 145969124
1-[(3R,4R)-3-(dimethylamino)-4-hydroxy-4-phenyltetrahydro-1(2H)-pyridinyl]-2-(3-pyridyl)-1-ethanone
CID 87053335
2-(4-Fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
CID 16668074
1-(3-Cyclopentylalanyl)-4-(5-methylpyridin-2-yl)piperidin-4-ol
CID 56750179
1-[3-(Dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone
CID 156601777
1-Benzyl-3-[hydroxy(pyridin-2-yl)methyl]piperidin-2-one
CID 76323319
2-(3-Fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
CID 92445432
2-(2-Fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 95807061
3-[[5-Fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]piperidin-2-one
CID 11553985

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]methyl]piperidin-2-one?
The IUPAC name of 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]methyl]piperidin-2-one (CID 11597590) is 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]methyl]piperidin-2-one?
The canonical SMILES for 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]methyl]piperidin-2-one is CC1CN(c2ccccc2CC2CCCN(c3ccc(C(C)(C)O)nc3)C2=O)CC(C)N1C.
What is the InChIKey of 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]methyl]piperidin-2-one?
The InChIKey is GFEVYAVXYPXWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O2/c1-19-17-30(18-20(2)29(19)5)24-11-7-6-9-21(24)15-22-10-8-14-31(26(22)32)23-12-13-25(28-16-23)27(3,4)33/h6-7,9,11-13,16,19-20,22,33H,8,10,14-15,17-18H2,1-5H3.
What are the key properties of 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]methyl]piperidin-2-one?
1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]methyl]piperidin-2-one has a molecular weight of 450.63 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]methyl]piperidin-2-one is sourced from PubChem (CID 11597590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).