4-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]-1-(4-methylphenyl)piperazin-2-one

C18H25N3O3 — CID 96580689

IUPAC4-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]-1-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)CN3CCC[C@@H](O)C3)CC2=O)cc1
InChIInChI=1S/C18H25N3O3/c1-14-4-6-15(7-5-14)21-10-9-20(13-18(21)24)17(23)12-19-8-2-3-16(22)11-19/h4-7,16,22H,2-3,8-13H2,1H3/t16-/m1/s1
InChIKeySIHCORLJMUIYQW-MRXNPFEDSA-N
MW331.42 g/mol
LogP0.63
Rot. Bonds3

About 4-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]-1-(4-methylphenyl)piperazin-2-one

4-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]-1-(4-methylphenyl)piperazin-2-one (PubChem CID 96580689) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]-1-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]-1-(4-methylphenyl)piperazin-2-one
PubChem CID96580689
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name4-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]-1-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)CN3CCC[C@@H](O)C3)CC2=O)cc1
InChIInChI=1S/C18H25N3O3/c1-14-4-6-15(7-5-14)21-10-9-20(13-18(21)24)17(23)12-19-8-2-3-16(22)11-19/h4-7,16,22H,2-3,8-13H2,1H3/t16-/m1/s1
InChIKeySIHCORLJMUIYQW-MRXNPFEDSA-N
XLogP0.63
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70741232
2-(3-hydroxypiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 60645203
5-[2-[4-(4-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
CID 70736014
4-(3-ethoxypropanoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70765820
1-(4-methylphenyl)-4-(1-methylsulfonylpyrrolidine-2-carbonyl)piperazin-2-one
CID 70778630
1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 129367078
1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107226024
1-(4-methylphenyl)-4-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one
CID 96579737
1-(4-methylphenyl)-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43034008
1-(4-methylphenyl)-4-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]piperazin-2-one
CID 70744765
4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one
CID 70780139
1-(4-acetylphenyl)-4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
CID 57442579

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]-1-(4-methylphenyl)piperazin-2-one?
The IUPAC name of 4-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]-1-(4-methylphenyl)piperazin-2-one (CID 96580689) is 4-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]-1-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]-1-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]-1-(4-methylphenyl)piperazin-2-one is Cc1ccc(N2CCN(C(=O)CN3CCC[C@@H](O)C3)CC2=O)cc1.
What is the InChIKey of 4-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]-1-(4-methylphenyl)piperazin-2-one?
The InChIKey is SIHCORLJMUIYQW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-14-4-6-15(7-5-14)21-10-9-20(13-18(21)24)17(23)12-19-8-2-3-16(22)11-19/h4-7,16,22H,2-3,8-13H2,1H3/t16-/m1/s1.
What are the key properties of 4-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]-1-(4-methylphenyl)piperazin-2-one?
4-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]-1-(4-methylphenyl)piperazin-2-one has a molecular weight of 331.42 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]-1-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 96580689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).