N-[(3,4-difluorophenyl)methyl]-3-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide

C20H25F2N3O4 — CID 45252018

IUPACN-[(3,4-difluorophenyl)methyl]-3-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(C(=O)CN2CCOC2=O)C1)NCc1ccc(F)c(F)c1
InChIInChI=1S/C20H25F2N3O4/c21-16-5-3-15(10-17(16)22)11-23-18(26)6-4-14-2-1-7-24(12-14)19(27)13-25-8-9-29-20(25)28/h3,5,10,14H,1-2,4,6-9,11-13H2,(H,23,26)
InChIKeyINJNOKZPHUPWSA-UHFFFAOYSA-N
MW409.43 g/mol
LogP2.05
Rot. Bonds7

About N-[(3,4-difluorophenyl)methyl]-3-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide

N-[(3,4-difluorophenyl)methyl]-3-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide (PubChem CID 45252018) has the molecular formula C20H25F2N3O4 and a molecular weight of 409.43 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-3-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-3-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide
PubChem CID45252018
Molecular FormulaC20H25F2N3O4
Molecular Weight409.43 g/mol
Exact Mass409.18
IUPAC NameN-[(3,4-difluorophenyl)methyl]-3-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(C(=O)CN2CCOC2=O)C1)NCc1ccc(F)c(F)c1
InChIInChI=1S/C20H25F2N3O4/c21-16-5-3-15(10-17(16)22)11-23-18(26)6-4-14-2-1-7-24(12-14)19(27)13-25-8-9-29-20(25)28/h3,5,10,14H,1-2,4,6-9,11-13H2,(H,23,26)
InChIKeyINJNOKZPHUPWSA-UHFFFAOYSA-N
XLogP2.05
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-[2-[(2-fluorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2568966
(S)-tert-butyl 2-(4-(((R)-1-((4-fluorobenzyl)amino)-3-methyl-1-oxobutan-2-yl)carbamoyl)piperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 16402456
N'-Cyclohexyl-N-cyclopentyl-N'-[(2-fluorophenyl)[(2-methoxyethyl)carbamoyl]methyl]ethanediamide
CID 3219971
1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 4069380
N-(3,4-difluorobenzyl)-3-[1-(3-methoxypropanoyl)piperidin-3-yl]propanamide
CID 16188105
N-[(4-fluorophenyl)methyl]-2-morpholin-4-ylacetamide;hydrochloride
CID 16247256
tert-butyl (2S)-2-[4-[[(2S)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 46943320
[2-[(2S,4R)-4-fluoro-2-[[(S)-(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl] N,N-dimethylcarbamate
CID 165138528
[2-[(2S,4R)-4-fluoro-2-[[(S)-(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl] piperazine-1-carboxylate
CID 165139313
(2S,4R)-N-[(S)-(4-cyclopropyl-3-fluorophenyl)-phenylmethyl]-4-fluoro-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 165139898
[2-[(2S,4R)-2-[[(S)-(4-cyclopropyl-3-fluorophenyl)-phenylmethyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl] 4-(2-methoxyethyl)piperazine-1-carboxylate
CID 165139970
(2S,4R)-4-fluoro-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165140611

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide (CID 45252018) is N-[(3,4-difluorophenyl)methyl]-3-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-3-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-3-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide is O=C(CCC1CCCN(C(=O)CN2CCOC2=O)C1)NCc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-3-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide?
The InChIKey is INJNOKZPHUPWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3O4/c21-16-5-3-15(10-17(16)22)11-23-18(26)6-4-14-2-1-7-24(12-14)19(27)13-25-8-9-29-20(25)28/h3,5,10,14H,1-2,4,6-9,11-13H2,(H,23,26).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-3-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide?
N-[(3,4-difluorophenyl)methyl]-3-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide has a molecular weight of 409.43 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-3-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 45252018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).