4-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride

C23H29ClN4O3 — CID 67381355

IUPAC4-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCc1cc(C)c(N2CCN(C(=O)c3ccc(N4C(=O)OCC4C)cc3)CC2)nc1C.Cl
InChIInChI=1S/C23H28N4O3.ClH/c1-15-13-16(2)21(24-18(15)4)25-9-11-26(12-10-25)22(28)19-5-7-20(8-6-19)27-17(3)14-30-23(27)29;/h5-8,13,17H,9-12,14H2,1-4H3;1H
InChIKeyDDMOCGUTIPDQLF-UHFFFAOYSA-N
MW444.96 g/mol
LogP3.74
Rot. Bonds3

About 4-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride

4-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 67381355) has the molecular formula C23H29ClN4O3 and a molecular weight of 444.96 g/mol. Its IUPAC name is 4-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
PubChem CID67381355
Molecular FormulaC23H29ClN4O3
Molecular Weight444.96 g/mol
Exact Mass444.19
IUPAC Name4-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCc1cc(C)c(N2CCN(C(=O)c3ccc(N4C(=O)OCC4C)cc3)CC2)nc1C.Cl
InChIInChI=1S/C23H28N4O3.ClH/c1-15-13-16(2)21(24-18(15)4)25-9-11-26(12-10-25)22(28)19-5-7-20(8-6-19)27-17(3)14-30-23(27)29;/h5-8,13,17H,9-12,14H2,1-4H3;1H
InChIKeyDDMOCGUTIPDQLF-UHFFFAOYSA-N
XLogP3.74
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride with MolForge

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Related Compounds

(4S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67381184
(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
(5S)-5-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
CID 58484501
[4-[(3R)-3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl]phenyl]-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone;hydrochloride
CID 71252830
3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67380947
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67381449
(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methoxyphenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67380763
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67381251
(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-[3-chloro-4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67381213
(4R)-4-(methoxymethyl)-3-[3-methylsulfonyl-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 67380997

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of 4-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride (CID 67381355) is 4-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for 4-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for 4-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride is Cc1cc(C)c(N2CCN(C(=O)c3ccc(N4C(=O)OCC4C)cc3)CC2)nc1C.Cl.
What is the InChIKey of 4-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is DDMOCGUTIPDQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3.ClH/c1-15-13-16(2)21(24-18(15)4)25-9-11-26(12-10-25)22(28)19-5-7-20(8-6-19)27-17(3)14-30-23(27)29;/h5-8,13,17H,9-12,14H2,1-4H3;1H.
What are the key properties of 4-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride?
4-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 444.96 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 67381355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).