3-(4-hydroxy-1-phenylmethoxybutan-2-yl)piperazine-2,5-dione

C15H20N2O4 — CID 13432009

IUPAC3-(4-hydroxy-1-phenylmethoxybutan-2-yl)piperazine-2,5-dione
SMILESO=C1CNC(=O)C(C(CCO)COCc2ccccc2)N1
InChIInChI=1S/C15H20N2O4/c18-7-6-12(14-15(20)16-8-13(19)17-14)10-21-9-11-4-2-1-3-5-11/h1-5,12,14,18H,6-10H2,(H,16,20)(H,17,19)
InChIKeyYYGLPFVWJTTWQX-UHFFFAOYSA-N
MW292.33 g/mol
LogP-0.18
Rot. Bonds7

About 3-(4-hydroxy-1-phenylmethoxybutan-2-yl)piperazine-2,5-dione

3-(4-hydroxy-1-phenylmethoxybutan-2-yl)piperazine-2,5-dione (PubChem CID 13432009) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-(4-hydroxy-1-phenylmethoxybutan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-(4-hydroxy-1-phenylmethoxybutan-2-yl)piperazine-2,5-dione
PubChem CID13432009
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-(4-hydroxy-1-phenylmethoxybutan-2-yl)piperazine-2,5-dione
SMILESO=C1CNC(=O)C(C(CCO)COCc2ccccc2)N1
InChIInChI=1S/C15H20N2O4/c18-7-6-12(14-15(20)16-8-13(19)17-14)10-21-9-11-4-2-1-3-5-11/h1-5,12,14,18H,6-10H2,(H,16,20)(H,17,19)
InChIKeyYYGLPFVWJTTWQX-UHFFFAOYSA-N
XLogP-0.18
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(phenylmethoxymethyl)piperazine-2,5-dione
CID 69212263
(3S)-3-[(2R)-2-phenyl-3-phenylmethoxypropyl]pyrrolidin-2-one
CID 118420758
(3R)-3-benzylpiperazine-2,5-dione
CID 928691
(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol
CID 22831407
2-(hydroxymethyl)-3-phenylmethoxypropanoic acid
CID 151037448
(3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol
CID 101210751
3-(phenylmethoxymethyl)piperidin-2-one
CID 102941255
CID 172760983
CID 172760983
(3S,6S,9S,12S,15S)-12-benzyl-3,15-bis[(1S)-1-hydroxyethyl]-6-[(4-hydroxyphenyl)methyl]-9-(2-methylpropyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 162911373
5-[1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one
CID 68610522
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]piperidin-2-one
CID 62094325
(4S)-5-phenylmethoxypentane-1,4-diol
CID 13181690

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-1-phenylmethoxybutan-2-yl)piperazine-2,5-dione?
The IUPAC name of 3-(4-hydroxy-1-phenylmethoxybutan-2-yl)piperazine-2,5-dione (CID 13432009) is 3-(4-hydroxy-1-phenylmethoxybutan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-(4-hydroxy-1-phenylmethoxybutan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 3-(4-hydroxy-1-phenylmethoxybutan-2-yl)piperazine-2,5-dione is O=C1CNC(=O)C(C(CCO)COCc2ccccc2)N1.
What is the InChIKey of 3-(4-hydroxy-1-phenylmethoxybutan-2-yl)piperazine-2,5-dione?
The InChIKey is YYGLPFVWJTTWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-7-6-12(14-15(20)16-8-13(19)17-14)10-21-9-11-4-2-1-3-5-11/h1-5,12,14,18H,6-10H2,(H,16,20)(H,17,19).
What are the key properties of 3-(4-hydroxy-1-phenylmethoxybutan-2-yl)piperazine-2,5-dione?
3-(4-hydroxy-1-phenylmethoxybutan-2-yl)piperazine-2,5-dione has a molecular weight of 292.33 g/mol, XLogP of -0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-1-phenylmethoxybutan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 13432009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).