4-oxo-2-[2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-(2-phenylethenyl)azetidin-1-yl]-N-(1-phenylethyl)-4-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]butanamide

C44H53N5O5 — CID 75026033

IUPAC4-oxo-2-[2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-(2-phenylethenyl)azetidin-1-yl]-N-(1-phenylethyl)-4-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]butanamide
SMILESCC(NC(=O)C(CC(=O)N1CCC(CCN2CCCCC2)CC1)N1C(=O)C(N2C(=O)OCC2c2ccccc2)C1C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C44H53N5O5/c1-32(35-16-8-3-9-17-35)45-42(51)38(30-40(50)47-28-23-34(24-29-47)22-27-46-25-12-5-13-26-46)48-37(21-20-33-14-6-2-7-15-33)41(43(48)52)49-39(31-54-44(49)53)36-18-10-4-11-19-36/h2-4,6-11,14-21,32,34,37-39,41H,5,12-13,22-31H2,1H3,(H,45,51)
InChIKeyHKPLAUMYFHPXIC-UHFFFAOYSA-N
MW731.94 g/mol
LogP6.22
Rot. Bonds13

About 4-oxo-2-[2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-(2-phenylethenyl)azetidin-1-yl]-N-(1-phenylethyl)-4-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]butanamide

4-oxo-2-[2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-(2-phenylethenyl)azetidin-1-yl]-N-(1-phenylethyl)-4-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]butanamide (PubChem CID 75026033) has the molecular formula C44H53N5O5 and a molecular weight of 731.94 g/mol. Its IUPAC name is 4-oxo-2-[2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-(2-phenylethenyl)azetidin-1-yl]-N-(1-phenylethyl)-4-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]butanamide.

Molecular Properties

Compound Name4-oxo-2-[2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-(2-phenylethenyl)azetidin-1-yl]-N-(1-phenylethyl)-4-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]butanamide
PubChem CID75026033
Molecular FormulaC44H53N5O5
Molecular Weight731.94 g/mol
Exact Mass731.40
IUPAC Name4-oxo-2-[2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-(2-phenylethenyl)azetidin-1-yl]-N-(1-phenylethyl)-4-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]butanamide
SMILESCC(NC(=O)C(CC(=O)N1CCC(CCN2CCCCC2)CC1)N1C(=O)C(N2C(=O)OCC2c2ccccc2)C1C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C44H53N5O5/c1-32(35-16-8-3-9-17-35)45-42(51)38(30-40(50)47-28-23-34(24-29-47)22-27-46-25-12-5-13-26-46)48-37(21-20-33-14-6-2-7-15-33)41(43(48)52)49-39(31-54-44(49)53)36-18-10-4-11-19-36/h2-4,6-11,14-21,32,34,37-39,41H,5,12-13,22-31H2,1H3,(H,45,51)
InChIKeyHKPLAUMYFHPXIC-UHFFFAOYSA-N
XLogP6.22
TPSA102.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.94
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-oxo-2-[2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-(2-phenylethenyl)azetidin-1-yl]-N-(1-phenylethyl)-4-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]butanamide with MolForge

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Related Compounds

(2R)-4-oxo-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]-N-[(1S)-1-phenylethyl]-4-(4-piperidin-1-ylpiperidin-1-yl)butanamide
CID 154630554
4-oxo-3-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]-4-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 67531858
4-oxo-2-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]-4-(4-piperidin-1-ylpiperidin-1-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 67530336
(2S)-4-oxo-2-[(3S,4R)-2-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-4-(4-piperidin-1-ylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 24751237
1-(4-cyclohexylpiperazin-1-yl)-2-[2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-[(E)-2-phenylethenyl]azetidin-1-yl]hexane-1,5-dione
CID 21063973
2-[2-[2-(2-methoxyphenyl)ethenyl]-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidin-1-yl]-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 67530558
(2S)-5-(4-cyclohexylpiperazin-1-yl)-5-oxo-2-[2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-[(E)-2-phenylethenyl]azetidin-1-yl]pentanal
CID 143545958
(3R)-4-oxo-3-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]-4-[[3-(trifluoromethyl)phenyl]methylamino]butanoic acid
CID 175060066
tert-butyl (3S)-4-oxo-3-[(3R,4R)-2-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-4-[[3-(trifluoromethyl)phenyl]methylamino]butanoate
CID 24895682
(2S)-2-[(3S)-2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 138474911
tert-butyl (4S)-5-oxo-4-[2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-[(E)-2-phenylethenyl]azetidin-1-yl]pentanoate
CID 138474890
(2S)-5-oxo-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pentanamide
CID 126703271

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-[2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-(2-phenylethenyl)azetidin-1-yl]-N-(1-phenylethyl)-4-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]butanamide?
The IUPAC name of 4-oxo-2-[2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-(2-phenylethenyl)azetidin-1-yl]-N-(1-phenylethyl)-4-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]butanamide (CID 75026033) is 4-oxo-2-[2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-(2-phenylethenyl)azetidin-1-yl]-N-(1-phenylethyl)-4-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]butanamide.
What is the SMILES notation for 4-oxo-2-[2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-(2-phenylethenyl)azetidin-1-yl]-N-(1-phenylethyl)-4-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]butanamide?
The canonical SMILES for 4-oxo-2-[2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-(2-phenylethenyl)azetidin-1-yl]-N-(1-phenylethyl)-4-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]butanamide is CC(NC(=O)C(CC(=O)N1CCC(CCN2CCCCC2)CC1)N1C(=O)C(N2C(=O)OCC2c2ccccc2)C1C=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 4-oxo-2-[2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-(2-phenylethenyl)azetidin-1-yl]-N-(1-phenylethyl)-4-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]butanamide?
The InChIKey is HKPLAUMYFHPXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H53N5O5/c1-32(35-16-8-3-9-17-35)45-42(51)38(30-40(50)47-28-23-34(24-29-47)22-27-46-25-12-5-13-26-46)48-37(21-20-33-14-6-2-7-15-33)41(43(48)52)49-39(31-54-44(49)53)36-18-10-4-11-19-36/h2-4,6-11,14-21,32,34,37-39,41H,5,12-13,22-31H2,1H3,(H,45,51).
What are the key properties of 4-oxo-2-[2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-(2-phenylethenyl)azetidin-1-yl]-N-(1-phenylethyl)-4-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]butanamide?
4-oxo-2-[2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-(2-phenylethenyl)azetidin-1-yl]-N-(1-phenylethyl)-4-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]butanamide has a molecular weight of 731.94 g/mol, XLogP of 6.22, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-[2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-(2-phenylethenyl)azetidin-1-yl]-N-(1-phenylethyl)-4-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]butanamide is sourced from PubChem (CID 75026033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).