2-[4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carbonyl]-N,N-diethyl-3,6-difluorobenzamide

C27H31F2N3O4 — CID 23904126

IUPAC2-[4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carbonyl]-N,N-diethyl-3,6-difluorobenzamide
SMILESCCN(CC)C(=O)c1c(F)ccc(F)c1C(=O)N1CCC(N2C(=O)OC[C@H]2Cc2ccccc2)CC1
InChIInChI=1S/C27H31F2N3O4/c1-3-30(4-2)25(33)23-21(28)10-11-22(29)24(23)26(34)31-14-12-19(13-15-31)32-20(17-36-27(32)35)16-18-8-6-5-7-9-18/h5-11,19-20H,3-4,12-17H2,1-2H3/t20-/m1/s1
InChIKeyJWJWKPGFPNCYSI-HXUWFJFHSA-N
MW499.56 g/mol
LogP4.11
Rot. Bonds7

About 2-[4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carbonyl]-N,N-diethyl-3,6-difluorobenzamide

2-[4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carbonyl]-N,N-diethyl-3,6-difluorobenzamide (PubChem CID 23904126) has the molecular formula C27H31F2N3O4 and a molecular weight of 499.56 g/mol. Its IUPAC name is 2-[4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carbonyl]-N,N-diethyl-3,6-difluorobenzamide.

Molecular Properties

Compound Name2-[4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carbonyl]-N,N-diethyl-3,6-difluorobenzamide
PubChem CID23904126
Molecular FormulaC27H31F2N3O4
Molecular Weight499.56 g/mol
Exact Mass499.23
IUPAC Name2-[4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carbonyl]-N,N-diethyl-3,6-difluorobenzamide
SMILESCCN(CC)C(=O)c1c(F)ccc(F)c1C(=O)N1CCC(N2C(=O)OC[C@H]2Cc2ccccc2)CC1
InChIInChI=1S/C27H31F2N3O4/c1-3-30(4-2)25(33)23-21(28)10-11-22(29)24(23)26(34)31-14-12-19(13-15-31)32-20(17-36-27(32)35)16-18-8-6-5-7-9-18/h5-11,19-20H,3-4,12-17H2,1-2H3/t20-/m1/s1
InChIKeyJWJWKPGFPNCYSI-HXUWFJFHSA-N
XLogP4.11
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.56
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carbonyl]-N,N-diethyl-3,6-difluorobenzamide with MolForge

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Related Compounds

N,N-diethyl-3,6-difluoro-2-[4-(2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)piperidine-1-carbonyl]benzamide
CID 3838587
4-benzyl-3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3712584
(4R)-4-benzyl-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23991572
methyl 2-[[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]amino]acetate
CID 3697585
ethenyl 4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
CID 3857415
N-[4-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide
CID 3854247
N-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]furan-2-carboxamide
CID 3573998
3-[1-(1-benzoylpiperidine-4-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 3861438
4-butyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23939940
(4R)-4-benzyl-3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23989316
4-benzyl-3-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3873723
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carbonyl]-N,N-diethyl-3,6-difluorobenzamide?
The IUPAC name of 2-[4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carbonyl]-N,N-diethyl-3,6-difluorobenzamide (CID 23904126) is 2-[4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carbonyl]-N,N-diethyl-3,6-difluorobenzamide.
What is the SMILES notation for 2-[4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carbonyl]-N,N-diethyl-3,6-difluorobenzamide?
The canonical SMILES for 2-[4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carbonyl]-N,N-diethyl-3,6-difluorobenzamide is CCN(CC)C(=O)c1c(F)ccc(F)c1C(=O)N1CCC(N2C(=O)OC[C@H]2Cc2ccccc2)CC1.
What is the InChIKey of 2-[4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carbonyl]-N,N-diethyl-3,6-difluorobenzamide?
The InChIKey is JWJWKPGFPNCYSI-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H31F2N3O4/c1-3-30(4-2)25(33)23-21(28)10-11-22(29)24(23)26(34)31-14-12-19(13-15-31)32-20(17-36-27(32)35)16-18-8-6-5-7-9-18/h5-11,19-20H,3-4,12-17H2,1-2H3/t20-/m1/s1.
What are the key properties of 2-[4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carbonyl]-N,N-diethyl-3,6-difluorobenzamide?
2-[4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carbonyl]-N,N-diethyl-3,6-difluorobenzamide has a molecular weight of 499.56 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carbonyl]-N,N-diethyl-3,6-difluorobenzamide is sourced from PubChem (CID 23904126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).