N-[4-[3-benzyl-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide

C27H33N3O4 — CID 42840686

IUPACN-[4-[3-benzyl-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide
SMILESCC1CCN(C(=O)C2C(c3ccc(NC(=O)C(C)C)cc3)OC(=O)N2Cc2ccccc2)CC1
InChIInChI=1S/C27H33N3O4/c1-18(2)25(31)28-22-11-9-21(10-12-22)24-23(26(32)29-15-13-19(3)14-16-29)30(27(33)34-24)17-20-7-5-4-6-8-20/h4-12,18-19,23-24H,13-17H2,1-3H3,(H,28,31)
InChIKeyYBZCPNSHEGFYKZ-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.60
Rot. Bonds6

About N-[4-[3-benzyl-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide

N-[4-[3-benzyl-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide (PubChem CID 42840686) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[4-[3-benzyl-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[3-benzyl-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide
PubChem CID42840686
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC NameN-[4-[3-benzyl-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide
SMILESCC1CCN(C(=O)C2C(c3ccc(NC(=O)C(C)C)cc3)OC(=O)N2Cc2ccccc2)CC1
InChIInChI=1S/C27H33N3O4/c1-18(2)25(31)28-22-11-9-21(10-12-22)24-23(26(32)29-15-13-19(3)14-16-29)30(27(33)34-24)17-20-7-5-4-6-8-20/h4-12,18-19,23-24H,13-17H2,1-3H3,(H,28,31)
InChIKeyYBZCPNSHEGFYKZ-UHFFFAOYSA-N
XLogP4.60
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[3-benzyl-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide with MolForge

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Related Compounds

N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide
CID 42841367
(4S,5R)-3-benzyl-N-(3-fluorophenyl)-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93201055
N-[3-[(4R,5R)-3-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]acetamide
CID 93202303
3-[(4-fluorophenyl)methyl]-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 42840604
N-[4-[3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide
CID 42840827
N-[4-[3-[(3-fluorophenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide
CID 42841411
3-[(3-fluorophenyl)methyl]-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 42841414
N-[3-[3-benzyl-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]acetamide
CID 42841022
3-benzyl-N-(cyclopropylmethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
CID 42840724
3-benzyl-N,N-diethyl-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841031
(4S,5S)-3-benzyl-N-[(2S)-butan-2-yl]-5-[4-[(2-methoxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93201242
3-benzyl-N-butan-2-yl-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 46020953

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-benzyl-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[3-benzyl-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide (CID 42840686) is N-[4-[3-benzyl-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[3-benzyl-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[3-benzyl-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide is CC1CCN(C(=O)C2C(c3ccc(NC(=O)C(C)C)cc3)OC(=O)N2Cc2ccccc2)CC1.
What is the InChIKey of N-[4-[3-benzyl-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide?
The InChIKey is YBZCPNSHEGFYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-18(2)25(31)28-22-11-9-21(10-12-22)24-23(26(32)29-15-13-19(3)14-16-29)30(27(33)34-24)17-20-7-5-4-6-8-20/h4-12,18-19,23-24H,13-17H2,1-3H3,(H,28,31).
What are the key properties of N-[4-[3-benzyl-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide?
N-[4-[3-benzyl-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide has a molecular weight of 463.58 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-benzyl-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 42840686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).