1-[[3-[4-[(dimethylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid

C19H27N3O4 — CID 19439042

IUPAC1-[[3-[4-[(dimethylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid
SMILESCN(C)Cc1ccc(N2CC(CN3CCC(C(=O)O)CC3)OC2=O)cc1
InChIInChI=1S/C19H27N3O4/c1-20(2)11-14-3-5-16(6-4-14)22-13-17(26-19(22)25)12-21-9-7-15(8-10-21)18(23)24/h3-6,15,17H,7-13H2,1-2H3,(H,23,24)
InChIKeyDICYDOGGRQSQHP-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.87
Rot. Bonds6

About 1-[[3-[4-[(dimethylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid

1-[[3-[4-[(dimethylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 19439042) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-[[3-[4-[(dimethylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[3-[4-[(dimethylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid
PubChem CID19439042
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name1-[[3-[4-[(dimethylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid
SMILESCN(C)Cc1ccc(N2CC(CN3CCC(C(=O)O)CC3)OC2=O)cc1
InChIInChI=1S/C19H27N3O4/c1-20(2)11-14-3-5-16(6-4-14)22-13-17(26-19(22)25)12-21-9-7-15(8-10-21)18(23)24/h3-6,15,17H,7-13H2,1-2H3,(H,23,24)
InChIKeyDICYDOGGRQSQHP-UHFFFAOYSA-N
XLogP1.87
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[4-[(dimethylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[3-[4-[(dimethylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid (CID 19439042) is 1-[[3-[4-[(dimethylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[3-[4-[(dimethylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[3-[4-[(dimethylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid is CN(C)Cc1ccc(N2CC(CN3CCC(C(=O)O)CC3)OC2=O)cc1.
What is the InChIKey of 1-[[3-[4-[(dimethylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is DICYDOGGRQSQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-20(2)11-14-3-5-16(6-4-14)22-13-17(26-19(22)25)12-21-9-7-15(8-10-21)18(23)24/h3-6,15,17H,7-13H2,1-2H3,(H,23,24).
What are the key properties of 1-[[3-[4-[(dimethylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid?
1-[[3-[4-[(dimethylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 361.44 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[4-[(dimethylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 19439042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).