3-[2-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methylamino]phenyl]-1,3-oxazolidin-2-one

C21H31N3O3 — CID 126808626

IUPAC3-[2-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methylamino]phenyl]-1,3-oxazolidin-2-one
SMILESCc1c(NCC2CCN(C(=O)CC(C)C)CC2)cccc1N1CCOC1=O
InChIInChI=1S/C21H31N3O3/c1-15(2)13-20(25)23-9-7-17(8-10-23)14-22-18-5-4-6-19(16(18)3)24-11-12-27-21(24)26/h4-6,15,17,22H,7-14H2,1-3H3
InChIKeyMRCMPMAUJLMGPC-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.65
Rot. Bonds6

About 3-[2-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methylamino]phenyl]-1,3-oxazolidin-2-one

3-[2-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methylamino]phenyl]-1,3-oxazolidin-2-one (PubChem CID 126808626) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-[2-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methylamino]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methylamino]phenyl]-1,3-oxazolidin-2-one
PubChem CID126808626
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name3-[2-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methylamino]phenyl]-1,3-oxazolidin-2-one
SMILESCc1c(NCC2CCN(C(=O)CC(C)C)CC2)cccc1N1CCOC1=O
InChIInChI=1S/C21H31N3O3/c1-15(2)13-20(25)23-9-7-17(8-10-23)14-22-18-5-4-6-19(16(18)3)24-11-12-27-21(24)26/h4-6,15,17,22H,7-14H2,1-3H3
InChIKeyMRCMPMAUJLMGPC-UHFFFAOYSA-N
XLogP3.65
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methylamino]phenyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methylamino]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methylamino]phenyl]-1,3-oxazolidin-2-one (CID 126808626) is 3-[2-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methylamino]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methylamino]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methylamino]phenyl]-1,3-oxazolidin-2-one is Cc1c(NCC2CCN(C(=O)CC(C)C)CC2)cccc1N1CCOC1=O.
What is the InChIKey of 3-[2-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methylamino]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is MRCMPMAUJLMGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-15(2)13-20(25)23-9-7-17(8-10-23)14-22-18-5-4-6-19(16(18)3)24-11-12-27-21(24)26/h4-6,15,17,22H,7-14H2,1-3H3.
What are the key properties of 3-[2-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methylamino]phenyl]-1,3-oxazolidin-2-one?
3-[2-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methylamino]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 373.50 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methylamino]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 126808626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).