(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methoxyphenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride

C23H29ClN4O4 — CID 67380763

IUPAC(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methoxyphenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
SMILESCOc1cc(C(=O)N2CCN(c3ncc(C)cc3C)CC2)ccc1N1C(=O)OC[C@H]1C.Cl
InChIInChI=1S/C23H28N4O4.ClH/c1-15-11-16(2)21(24-13-15)25-7-9-26(10-8-25)22(28)18-5-6-19(20(12-18)30-4)27-17(3)14-31-23(27)29;/h5-6,11-13,17H,7-10,14H2,1-4H3;1H/t17-;/m1./s1
InChIKeyVKSNDBNHEBBMDE-UNTBIKODSA-N
MW460.96 g/mol
LogP3.44
Rot. Bonds4

About (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methoxyphenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride

(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methoxyphenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 67380763) has the molecular formula C23H29ClN4O4 and a molecular weight of 460.96 g/mol. Its IUPAC name is (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methoxyphenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methoxyphenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
PubChem CID67380763
Molecular FormulaC23H29ClN4O4
Molecular Weight460.96 g/mol
Exact Mass460.19
IUPAC Name(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methoxyphenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
SMILESCOc1cc(C(=O)N2CCN(c3ncc(C)cc3C)CC2)ccc1N1C(=O)OC[C@H]1C.Cl
InChIInChI=1S/C23H28N4O4.ClH/c1-15-11-16(2)21(24-13-15)25-7-9-26(10-8-25)22(28)18-5-6-19(20(12-18)30-4)27-17(3)14-31-23(27)29;/h5-6,11-13,17H,7-10,14H2,1-4H3;1H/t17-;/m1./s1
InChIKeyVKSNDBNHEBBMDE-UNTBIKODSA-N
XLogP3.44
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.96
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methoxyphenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67380764
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67381449
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67381251
(4S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67381184
(4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methyl-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
CID 58484827
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 67382281
3-[3-chloro-4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67381213
(4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride
CID 67384675
(4R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67380868
(4R)-3-[4-[4-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67380790
3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
CID 67380804
(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 58484526

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methoxyphenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methoxyphenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride (CID 67380763) is (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methoxyphenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methoxyphenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methoxyphenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride is COc1cc(C(=O)N2CCN(c3ncc(C)cc3C)CC2)ccc1N1C(=O)OC[C@H]1C.Cl.
What is the InChIKey of (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methoxyphenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is VKSNDBNHEBBMDE-UNTBIKODSA-N. The full InChI is InChI=1S/C23H28N4O4.ClH/c1-15-11-16(2)21(24-13-15)25-7-9-26(10-8-25)22(28)18-5-6-19(20(12-18)30-4)27-17(3)14-31-23(27)29;/h5-6,11-13,17H,7-10,14H2,1-4H3;1H/t17-;/m1./s1.
What are the key properties of (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methoxyphenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride?
(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methoxyphenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 460.96 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methoxyphenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 67380763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).