3-[1-[2-hydroxy-3-[4-(piperazin-1-ylmethyl)phenoxy]propyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C22H34N4O4 — CID 172666147

IUPAC3-[1-[2-hydroxy-3-[4-(piperazin-1-ylmethyl)phenoxy]propyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C1CCN(CC(O)COc2ccc(CN3CCNCC3)cc2)CC1
InChIInChI=1S/C22H34N4O4/c27-20(16-24-9-5-19(6-10-24)26-13-14-29-22(26)28)17-30-21-3-1-18(2-4-21)15-25-11-7-23-8-12-25/h1-4,19-20,23,27H,5-17H2
InChIKeyBNDYUAFITRVXRQ-UHFFFAOYSA-N
MW418.54 g/mol
LogP0.75
Rot. Bonds8

About 3-[1-[2-hydroxy-3-[4-(piperazin-1-ylmethyl)phenoxy]propyl]piperidin-4-yl]-1,3-oxazolidin-2-one

3-[1-[2-hydroxy-3-[4-(piperazin-1-ylmethyl)phenoxy]propyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 172666147) has the molecular formula C22H34N4O4 and a molecular weight of 418.54 g/mol. Its IUPAC name is 3-[1-[2-hydroxy-3-[4-(piperazin-1-ylmethyl)phenoxy]propyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[2-hydroxy-3-[4-(piperazin-1-ylmethyl)phenoxy]propyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID172666147
Molecular FormulaC22H34N4O4
Molecular Weight418.54 g/mol
Exact Mass418.26
IUPAC Name3-[1-[2-hydroxy-3-[4-(piperazin-1-ylmethyl)phenoxy]propyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C1CCN(CC(O)COc2ccc(CN3CCNCC3)cc2)CC1
InChIInChI=1S/C22H34N4O4/c27-20(16-24-9-5-19(6-10-24)26-13-14-29-22(26)28)17-30-21-3-1-18(2-4-21)15-25-11-7-23-8-12-25/h1-4,19-20,23,27H,5-17H2
InChIKeyBNDYUAFITRVXRQ-UHFFFAOYSA-N
XLogP0.75
TPSA77.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[1-[2-hydroxy-3-[4-(piperazin-1-ylmethyl)phenoxy]propyl]piperidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

1-[1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]imidazolidin-2-one
CID 94392487
4-[[4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methyl]piperazin-2-one
CID 172659890
1-[4-(azepan-1-ylmethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 172660340
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-[4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 71960280
1-(4-chlorophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3747847
(2R)-1-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 97284083
1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol
CID 65449830
(2S)-1-(4-chlorophenoxy)-3-(1,4-diazepan-1-yl)propan-2-ol
CID 95067055
1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 54773385
1-(4-chlorophenoxy)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3859453
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
CID 55466655
4-[[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]methyl]piperazin-2-one
CID 45179310

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-hydroxy-3-[4-(piperazin-1-ylmethyl)phenoxy]propyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[2-hydroxy-3-[4-(piperazin-1-ylmethyl)phenoxy]propyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 172666147) is 3-[1-[2-hydroxy-3-[4-(piperazin-1-ylmethyl)phenoxy]propyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[2-hydroxy-3-[4-(piperazin-1-ylmethyl)phenoxy]propyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[2-hydroxy-3-[4-(piperazin-1-ylmethyl)phenoxy]propyl]piperidin-4-yl]-1,3-oxazolidin-2-one is O=C1OCCN1C1CCN(CC(O)COc2ccc(CN3CCNCC3)cc2)CC1.
What is the InChIKey of 3-[1-[2-hydroxy-3-[4-(piperazin-1-ylmethyl)phenoxy]propyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is BNDYUAFITRVXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O4/c27-20(16-24-9-5-19(6-10-24)26-13-14-29-22(26)28)17-30-21-3-1-18(2-4-21)15-25-11-7-23-8-12-25/h1-4,19-20,23,27H,5-17H2.
What are the key properties of 3-[1-[2-hydroxy-3-[4-(piperazin-1-ylmethyl)phenoxy]propyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[2-hydroxy-3-[4-(piperazin-1-ylmethyl)phenoxy]propyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 418.54 g/mol, XLogP of 0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-hydroxy-3-[4-(piperazin-1-ylmethyl)phenoxy]propyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 172666147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).