3-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-one

C26H33N3O4 — CID 45172603

IUPAC3-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-one
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)N2CCC(O)(c3ccccc3)CC2)cc1C
InChIInChI=1S/C26H33N3O4/c1-19-16-20(8-9-23(19)33-2)18-29-15-12-27-25(31)22(29)17-24(30)28-13-10-26(32,11-14-28)21-6-4-3-5-7-21/h3-9,16,22,32H,10-15,17-18H2,1-2H3,(H,27,31)
InChIKeyAUKAYAXSDLFLOG-UHFFFAOYSA-N
MW451.57 g/mol
LogP2.20
Rot. Bonds6

About 3-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-one

3-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-one (PubChem CID 45172603) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is 3-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name3-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-one
PubChem CID45172603
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Name3-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-one
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)N2CCC(O)(c3ccccc3)CC2)cc1C
InChIInChI=1S/C26H33N3O4/c1-19-16-20(8-9-23(19)33-2)18-29-15-12-27-25(31)22(29)17-24(30)28-13-10-26(32,11-14-28)21-6-4-3-5-7-21/h3-9,16,22,32H,10-15,17-18H2,1-2H3,(H,27,31)
InChIKeyAUKAYAXSDLFLOG-UHFFFAOYSA-N
XLogP2.20
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-one with MolForge

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Related Compounds

(3S)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95711036
N,N-diethyl-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95727326
3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429
2-[1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 45215989
(3R)-3-[2-[4-(2-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one
CID 25457354
2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 42344754
2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide
CID 45208072
(3S)-4-[(3-fluorophenyl)methyl]-3-[2-[4-(2-methylphenoxy)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 42594951
4-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 45201951
4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
CID 50968053
(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
CID 25292413
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 42196097

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-one?
The IUPAC name of 3-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-one (CID 45172603) is 3-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 3-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-one?
The canonical SMILES for 3-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-one is COc1ccc(CN2CCNC(=O)C2CC(=O)N2CCC(O)(c3ccccc3)CC2)cc1C.
What is the InChIKey of 3-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-one?
The InChIKey is AUKAYAXSDLFLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-19-16-20(8-9-23(19)33-2)18-29-15-12-27-25(31)22(29)17-24(30)28-13-10-26(32,11-14-28)21-6-4-3-5-7-21/h3-9,16,22,32H,10-15,17-18H2,1-2H3,(H,27,31).
What are the key properties of 3-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-one?
3-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-one has a molecular weight of 451.57 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 45172603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).