4-[[3-[(2R)-2-hydroxy-3-[methyl(propan-2-yl)amino]propoxy]-4-methoxyphenyl]methyl]piperazin-2-one

C19H31N3O4 — CID 97268549

IUPAC4-[[3-[(2R)-2-hydroxy-3-[methyl(propan-2-yl)amino]propoxy]-4-methoxyphenyl]methyl]piperazin-2-one
SMILESCOc1ccc(CN2CCNC(=O)C2)cc1OC[C@H](O)CN(C)C(C)C
InChIInChI=1S/C19H31N3O4/c1-14(2)21(3)11-16(23)13-26-18-9-15(5-6-17(18)25-4)10-22-8-7-20-19(24)12-22/h5-6,9,14,16,23H,7-8,10-13H2,1-4H3,(H,20,24)/t16-/m1/s1
InChIKeyHCQLIOIQKKCMIH-MRXNPFEDSA-N
MW365.47 g/mol
LogP0.71
Rot. Bonds9

About 4-[[3-[(2R)-2-hydroxy-3-[methyl(propan-2-yl)amino]propoxy]-4-methoxyphenyl]methyl]piperazin-2-one

4-[[3-[(2R)-2-hydroxy-3-[methyl(propan-2-yl)amino]propoxy]-4-methoxyphenyl]methyl]piperazin-2-one (PubChem CID 97268549) has the molecular formula C19H31N3O4 and a molecular weight of 365.47 g/mol. Its IUPAC name is 4-[[3-[(2R)-2-hydroxy-3-[methyl(propan-2-yl)amino]propoxy]-4-methoxyphenyl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[3-[(2R)-2-hydroxy-3-[methyl(propan-2-yl)amino]propoxy]-4-methoxyphenyl]methyl]piperazin-2-one
PubChem CID97268549
Molecular FormulaC19H31N3O4
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC Name4-[[3-[(2R)-2-hydroxy-3-[methyl(propan-2-yl)amino]propoxy]-4-methoxyphenyl]methyl]piperazin-2-one
SMILESCOc1ccc(CN2CCNC(=O)C2)cc1OC[C@H](O)CN(C)C(C)C
InChIInChI=1S/C19H31N3O4/c1-14(2)21(3)11-16(23)13-26-18-9-15(5-6-17(18)25-4)10-22-8-7-20-19(24)12-22/h5-6,9,14,16,23H,7-8,10-13H2,1-4H3,(H,20,24)/t16-/m1/s1
InChIKeyHCQLIOIQKKCMIH-MRXNPFEDSA-N
XLogP0.71
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[3-[(2R)-2-hydroxy-3-[methyl(propan-2-yl)amino]propoxy]-4-methoxyphenyl]methyl]piperazin-2-one with MolForge

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Related Compounds

4-[[3-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-4-methoxyphenyl]methyl]piperazin-2-one
CID 97278766
(2R)-1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
CID 97273502
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
1-[[3-[(2S)-3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]methyl]-1,4-diazepan-5-one
CID 97274913
(2S)-1-[4-[(4,4-difluoropiperidin-1-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
CID 97272583
(2R)-1-[2-methoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
CID 28953775
1-[4-[[4-(hydroxymethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
CID 72941374
(2S)-1-[2-methoxy-5-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
CID 26392566
(2R)-1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
CID 97275346
(2S)-1-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
CID 97269328
4-[(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]piperazin-2-one
CID 51640549

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2R)-2-hydroxy-3-[methyl(propan-2-yl)amino]propoxy]-4-methoxyphenyl]methyl]piperazin-2-one?
The IUPAC name of 4-[[3-[(2R)-2-hydroxy-3-[methyl(propan-2-yl)amino]propoxy]-4-methoxyphenyl]methyl]piperazin-2-one (CID 97268549) is 4-[[3-[(2R)-2-hydroxy-3-[methyl(propan-2-yl)amino]propoxy]-4-methoxyphenyl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[3-[(2R)-2-hydroxy-3-[methyl(propan-2-yl)amino]propoxy]-4-methoxyphenyl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[3-[(2R)-2-hydroxy-3-[methyl(propan-2-yl)amino]propoxy]-4-methoxyphenyl]methyl]piperazin-2-one is COc1ccc(CN2CCNC(=O)C2)cc1OC[C@H](O)CN(C)C(C)C.
What is the InChIKey of 4-[[3-[(2R)-2-hydroxy-3-[methyl(propan-2-yl)amino]propoxy]-4-methoxyphenyl]methyl]piperazin-2-one?
The InChIKey is HCQLIOIQKKCMIH-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H31N3O4/c1-14(2)21(3)11-16(23)13-26-18-9-15(5-6-17(18)25-4)10-22-8-7-20-19(24)12-22/h5-6,9,14,16,23H,7-8,10-13H2,1-4H3,(H,20,24)/t16-/m1/s1.
What are the key properties of 4-[[3-[(2R)-2-hydroxy-3-[methyl(propan-2-yl)amino]propoxy]-4-methoxyphenyl]methyl]piperazin-2-one?
4-[[3-[(2R)-2-hydroxy-3-[methyl(propan-2-yl)amino]propoxy]-4-methoxyphenyl]methyl]piperazin-2-one has a molecular weight of 365.47 g/mol, XLogP of 0.71, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2R)-2-hydroxy-3-[methyl(propan-2-yl)amino]propoxy]-4-methoxyphenyl]methyl]piperazin-2-one is sourced from PubChem (CID 97268549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).