N-[4-[1-[[(5S)-3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide;hydrochloride

C25H32ClN3O5 — CID 139652790

IUPACN-[4-[1-[[(5S)-3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide;hydrochloride
SMILESCOc1ccc(N2C[C@H](CN3CCC(Oc4ccc(N(C)C(C)=O)cc4)CC3)OC2=O)cc1.Cl
InChIInChI=1S/C25H31N3O5.ClH/c1-18(29)26(2)19-4-10-22(11-5-19)32-23-12-14-27(15-13-23)16-24-17-28(25(30)33-24)20-6-8-21(31-3)9-7-20;/h4-11,23-24H,12-17H2,1-3H3;1H/t24-;/m0./s1
InChIKeyTXEYKDZJRMQATG-JIDHJSLPSA-N
MW490.00 g/mol
LogP3.97
Rot. Bonds7

About N-[4-[1-[[(5S)-3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide;hydrochloride

N-[4-[1-[[(5S)-3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide;hydrochloride (PubChem CID 139652790) has the molecular formula C25H32ClN3O5 and a molecular weight of 490.00 g/mol. Its IUPAC name is N-[4-[1-[[(5S)-3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[1-[[(5S)-3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide;hydrochloride
PubChem CID139652790
Molecular FormulaC25H32ClN3O5
Molecular Weight490.00 g/mol
Exact Mass489.20
IUPAC NameN-[4-[1-[[(5S)-3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide;hydrochloride
SMILESCOc1ccc(N2C[C@H](CN3CCC(Oc4ccc(N(C)C(C)=O)cc4)CC3)OC2=O)cc1.Cl
InChIInChI=1S/C25H31N3O5.ClH/c1-18(29)26(2)19-4-10-22(11-5-19)32-23-12-14-27(15-13-23)16-24-17-28(25(30)33-24)20-6-8-21(31-3)9-7-20;/h4-11,23-24H,12-17H2,1-3H3;1H/t24-;/m0./s1
InChIKeyTXEYKDZJRMQATG-JIDHJSLPSA-N
XLogP3.97
TPSA71.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.00
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[(5S)-3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide;hydrochloride?
The IUPAC name of N-[4-[1-[[(5S)-3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide;hydrochloride (CID 139652790) is N-[4-[1-[[(5S)-3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-[4-[1-[[(5S)-3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide;hydrochloride?
The canonical SMILES for N-[4-[1-[[(5S)-3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide;hydrochloride is COc1ccc(N2C[C@H](CN3CCC(Oc4ccc(N(C)C(C)=O)cc4)CC3)OC2=O)cc1.Cl.
What is the InChIKey of N-[4-[1-[[(5S)-3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide;hydrochloride?
The InChIKey is TXEYKDZJRMQATG-JIDHJSLPSA-N. The full InChI is InChI=1S/C25H31N3O5.ClH/c1-18(29)26(2)19-4-10-22(11-5-19)32-23-12-14-27(15-13-23)16-24-17-28(25(30)33-24)20-6-8-21(31-3)9-7-20;/h4-11,23-24H,12-17H2,1-3H3;1H/t24-;/m0./s1.
What are the key properties of N-[4-[1-[[(5S)-3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide;hydrochloride?
N-[4-[1-[[(5S)-3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide;hydrochloride has a molecular weight of 490.00 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[[(5S)-3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 139652790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).