tert-butyl 4-[[4-(4-chlorobenzoyl)piperidin-1-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C23H33ClN2O4 — CID 68809161

IUPACtert-butyl 4-[[4-(4-chlorobenzoyl)piperidin-1-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)COC1(C)C
InChIInChI=1S/C23H33ClN2O4/c1-22(2,3)30-21(28)26-19(15-29-23(26,4)5)14-25-12-10-17(11-13-25)20(27)16-6-8-18(24)9-7-16/h6-9,17,19H,10-15H2,1-5H3
InChIKeyYNVYZYABKQJMNU-UHFFFAOYSA-N
MW436.98 g/mol
LogP4.61
Rot. Bonds4

About tert-butyl 4-[[4-(4-chlorobenzoyl)piperidin-1-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl 4-[[4-(4-chlorobenzoyl)piperidin-1-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 68809161) has the molecular formula C23H33ClN2O4 and a molecular weight of 436.98 g/mol. Its IUPAC name is tert-butyl 4-[[4-(4-chlorobenzoyl)piperidin-1-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-(4-chlorobenzoyl)piperidin-1-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID68809161
Molecular FormulaC23H33ClN2O4
Molecular Weight436.98 g/mol
Exact Mass436.21
IUPAC Nametert-butyl 4-[[4-(4-chlorobenzoyl)piperidin-1-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)COC1(C)C
InChIInChI=1S/C23H33ClN2O4/c1-22(2,3)30-21(28)26-19(15-29-23(26,4)5)14-25-12-10-17(11-13-25)20(27)16-6-8-18(24)9-7-16/h6-9,17,19H,10-15H2,1-5H3
InChIKeyYNVYZYABKQJMNU-UHFFFAOYSA-N
XLogP4.61
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.98
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[[4-(4-chlorobenzoyl)piperidin-1-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(4-chlorobenzoyl)piperidine-1-carboxylate
CID 10519988
tert-butyl (4S)-4-[2-[4-[(4-chlorobenzoyl)-methylamino]phenyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67151549
tert-butyl (4S)-4-[(E)-2-(4-chlorophenyl)but-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 68715190
tert-butyl (4S)-4-(furan-3-ylmethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 25224151
tert-butyl (4S)-2,2-dimethyl-4-(2-phenylethyl)-1,3-oxazolidine-3-carboxylate
CID 15850664
tert-butyl (4R)-2,2-dimethyl-4-(2-phenylethyl)-1,3-oxazolidine-3-carboxylate
CID 10990397
tert-butyl 4-[(2S)-2-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 118469598
tert-butyl (4S)-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine-3-carboxylate
CID 58893797
tert-butyl (4S)-2,2-dimethyl-4-[(4-phenoxyphenyl)methyl]-1,3-oxazolidine-3-carboxylate
CID 57120841
tert-butyl (4R)-2,2-dimethyl-4-[2-(4-propan-2-ylphenyl)ethyl]-1,3-oxazolidine-3-carboxylate
CID 71508454
4-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]benzoic acid
CID 67151557
tert-butyl 4-[(6,6-dimethyloxan-3-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 68711976

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-(4-chlorobenzoyl)piperidin-1-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-[[4-(4-chlorobenzoyl)piperidin-1-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 68809161) is tert-butyl 4-[[4-(4-chlorobenzoyl)piperidin-1-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-(4-chlorobenzoyl)piperidin-1-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-(4-chlorobenzoyl)piperidin-1-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1C(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)COC1(C)C.
What is the InChIKey of tert-butyl 4-[[4-(4-chlorobenzoyl)piperidin-1-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is YNVYZYABKQJMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33ClN2O4/c1-22(2,3)30-21(28)26-19(15-29-23(26,4)5)14-25-12-10-17(11-13-25)20(27)16-6-8-18(24)9-7-16/h6-9,17,19H,10-15H2,1-5H3.
What are the key properties of tert-butyl 4-[[4-(4-chlorobenzoyl)piperidin-1-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-[[4-(4-chlorobenzoyl)piperidin-1-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 436.98 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-(4-chlorobenzoyl)piperidin-1-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 68809161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).