4-[[4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methyl]piperazin-2-one

C25H33N3O3 — CID 172659890

IUPAC4-[[4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2ccc(OCC(O)CN3CCC(c4ccccc4)CC3)cc2)CCN1
InChIInChI=1S/C25H33N3O3/c29-23(17-27-13-10-22(11-14-27)21-4-2-1-3-5-21)19-31-24-8-6-20(7-9-24)16-28-15-12-26-25(30)18-28/h1-9,22-23,29H,10-19H2,(H,26,30)
InChIKeyFPYIXKWMRLVLCF-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.24
Rot. Bonds8

About 4-[[4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methyl]piperazin-2-one

4-[[4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methyl]piperazin-2-one (PubChem CID 172659890) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 4-[[4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methyl]piperazin-2-one
PubChem CID172659890
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name4-[[4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2ccc(OCC(O)CN3CCC(c4ccccc4)CC3)cc2)CCN1
InChIInChI=1S/C25H33N3O3/c29-23(17-27-13-10-22(11-14-27)21-4-2-1-3-5-21)19-31-24-8-6-20(7-9-24)16-28-15-12-26-25(30)18-28/h1-9,22-23,29H,10-19H2,(H,26,30)
InChIKeyFPYIXKWMRLVLCF-UHFFFAOYSA-N
XLogP2.24
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methyl]piperazin-2-one with MolForge

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Related Compounds

4-[[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]methyl]piperazin-2-one
CID 45179310
4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-2-one
CID 2421334
4-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperazin-2-one
CID 18086489
4-[2-hydroxy-3-(3-oxopiperazin-1-yl)propoxy]benzonitrile
CID 43213542
N-[4-[(2R)-2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methanesulfonamide
CID 97013591
4-[(2R)-2-hydroxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propoxy]benzonitrile
CID 100851303
3-[1-[2-hydroxy-3-[4-(piperazin-1-ylmethyl)phenoxy]propyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 172666147
1-[4-(hydroxymethyl)piperidin-1-yl]-3-[3-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 175643135
1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 54773385
4-[[4-[(2S)-3-(azocan-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]piperazin-2-one
CID 25456669
4-[[4-[(2R)-3-(azocan-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]piperazin-2-one
CID 25456679
4-[[3-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-4-methoxyphenyl]methyl]piperazin-2-one
CID 97278766

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methyl]piperazin-2-one?
The IUPAC name of 4-[[4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methyl]piperazin-2-one (CID 172659890) is 4-[[4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methyl]piperazin-2-one is O=C1CN(Cc2ccc(OCC(O)CN3CCC(c4ccccc4)CC3)cc2)CCN1.
What is the InChIKey of 4-[[4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methyl]piperazin-2-one?
The InChIKey is FPYIXKWMRLVLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c29-23(17-27-13-10-22(11-14-27)21-4-2-1-3-5-21)19-31-24-8-6-20(7-9-24)16-28-15-12-26-25(30)18-28/h1-9,22-23,29H,10-19H2,(H,26,30).
What are the key properties of 4-[[4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methyl]piperazin-2-one?
4-[[4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methyl]piperazin-2-one has a molecular weight of 423.56 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methyl]piperazin-2-one is sourced from PubChem (CID 172659890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).