2,6-dimethyl-N-[3-[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]butyl]benzamide

C27H35N3O3 — CID 68776791

IUPAC2,6-dimethyl-N-[3-[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]butyl]benzamide
SMILESCc1cccc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)OCC2c2ccccc2)CC1
InChIInChI=1S/C27H35N3O3/c1-19-8-7-9-20(2)25(19)26(31)28-15-12-21(3)29-16-13-23(14-17-29)30-24(18-33-27(30)32)22-10-5-4-6-11-22/h4-11,21,23-24H,12-18H2,1-3H3,(H,28,31)
InChIKeyIPNOUMXTAQMSKS-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.47
Rot. Bonds7

About 2,6-dimethyl-N-[3-[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]butyl]benzamide

2,6-dimethyl-N-[3-[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]butyl]benzamide (PubChem CID 68776791) has the molecular formula C27H35N3O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is 2,6-dimethyl-N-[3-[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]butyl]benzamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[3-[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]butyl]benzamide
PubChem CID68776791
Molecular FormulaC27H35N3O3
Molecular Weight449.60 g/mol
Exact Mass449.27
IUPAC Name2,6-dimethyl-N-[3-[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]butyl]benzamide
SMILESCc1cccc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)OCC2c2ccccc2)CC1
InChIInChI=1S/C27H35N3O3/c1-19-8-7-9-20(2)25(19)26(31)28-15-12-21(3)29-16-13-23(14-17-29)30-24(18-33-27(30)32)22-10-5-4-6-11-22/h4-11,21,23-24H,12-18H2,1-3H3,(H,28,31)
InChIKeyIPNOUMXTAQMSKS-UHFFFAOYSA-N
XLogP4.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,6-dimethyl-N-[3-[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]butyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dimethyl-N-[3-[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]butyl]-4-pyridin-4-ylbenzamide
CID 59458199
N-[(3R)-3-[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 72713860
6-chloro-N-[3-[4-[(5R)-3-ethyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
CID 72711506
N-[3-[4-[(5R)-3-benzyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide
CID 72711742
N-[3-[4-(3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide
CID 68777398
3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butylcarbamic acid
CID 68799960
4-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]benzoic acid
CID 59458245
6-chloro-2,4-dimethyl-N-[3-[4-[2-oxo-5-phenyl-3-[(1R)-1-(1H-pyrrol-2-yl)ethyl]imidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 87570929
N-[3-[4-(3-cyclohexyl-2-oxo-5-pyridin-3-ylimidazolidin-1-yl)piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 72711279
(4S)-3-[4-(aminomethyl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 143706107
N-[3-[4-(3-cyclohexyl-2-oxo-5-thiophen-3-ylimidazolidin-1-yl)piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 72713858
2-chloro-6-methyl-N-[3-[4-[2-[4-(trifluoromethyl)phenyl]-1,3-benzodioxol-2-yl]piperidin-1-yl]butyl]benzamide
CID 68971741

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[3-[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]butyl]benzamide?
The IUPAC name of 2,6-dimethyl-N-[3-[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]butyl]benzamide (CID 68776791) is 2,6-dimethyl-N-[3-[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]butyl]benzamide.
What is the SMILES notation for 2,6-dimethyl-N-[3-[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]butyl]benzamide?
The canonical SMILES for 2,6-dimethyl-N-[3-[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]butyl]benzamide is Cc1cccc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)OCC2c2ccccc2)CC1.
What is the InChIKey of 2,6-dimethyl-N-[3-[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]butyl]benzamide?
The InChIKey is IPNOUMXTAQMSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3/c1-19-8-7-9-20(2)25(19)26(31)28-15-12-21(3)29-16-13-23(14-17-29)30-24(18-33-27(30)32)22-10-5-4-6-11-22/h4-11,21,23-24H,12-18H2,1-3H3,(H,28,31).
What are the key properties of 2,6-dimethyl-N-[3-[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]butyl]benzamide?
2,6-dimethyl-N-[3-[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]butyl]benzamide has a molecular weight of 449.60 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[3-[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]butyl]benzamide is sourced from PubChem (CID 68776791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).