1-(4-acetylphenyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]piperidine-4-carboxamide

C27H31N3O4 — CID 143052936

IUPAC1-(4-acetylphenyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]piperidine-4-carboxamide
SMILESCC(=O)c1ccc(N2CCC(C(=O)Nc3ccc(Oc4cc(C(C)(C)C)on4)cc3)CC2)cc1
InChIInChI=1S/C27H31N3O4/c1-18(31)19-5-9-22(10-6-19)30-15-13-20(14-16-30)26(32)28-21-7-11-23(12-8-21)33-25-17-24(34-29-25)27(2,3)4/h5-12,17,20H,13-16H2,1-4H3,(H,28,32)
InChIKeyRJNQPDOXCAKGPC-UHFFFAOYSA-N
MW461.56 g/mol
LogP5.82
Rot. Bonds6

About 1-(4-acetylphenyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]piperidine-4-carboxamide

1-(4-acetylphenyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]piperidine-4-carboxamide (PubChem CID 143052936) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-acetylphenyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]piperidine-4-carboxamide
PubChem CID143052936
Molecular FormulaC27H31N3O4
Molecular Weight461.56 g/mol
Exact Mass461.23
IUPAC Name1-(4-acetylphenyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]piperidine-4-carboxamide
SMILESCC(=O)c1ccc(N2CCC(C(=O)Nc3ccc(Oc4cc(C(C)(C)C)on4)cc3)CC2)cc1
InChIInChI=1S/C27H31N3O4/c1-18(31)19-5-9-22(10-6-19)30-15-13-20(14-16-30)26(32)28-21-7-11-23(12-8-21)33-25-17-24(34-29-25)27(2,3)4/h5-12,17,20H,13-16H2,1-4H3,(H,28,32)
InChIKeyRJNQPDOXCAKGPC-UHFFFAOYSA-N
XLogP5.82
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.56
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]-4-chlorobenzamide
CID 143053139
N-(4-acetylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide
CID 71708418
N-(4-acetylphenyl)-1-methylpiperidine-4-carboxamide
CID 59145520
N-(4-acetylphenyl)cyclobutanecarboxamide
CID 877885
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
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N-(4-acetylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 20883697
1-[4-(cyclopropanecarbonylamino)phenyl]-N-ethylpiperidine-4-carboxamide
CID 110668128
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145710
1-acetyl-N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]piperidine-4-carboxamide
CID 97427651
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide
CID 59420472
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 46257727

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-acetylphenyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]piperidine-4-carboxamide (CID 143052936) is 1-(4-acetylphenyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-acetylphenyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-acetylphenyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]piperidine-4-carboxamide is CC(=O)c1ccc(N2CCC(C(=O)Nc3ccc(Oc4cc(C(C)(C)C)on4)cc3)CC2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]piperidine-4-carboxamide?
The InChIKey is RJNQPDOXCAKGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4/c1-18(31)19-5-9-22(10-6-19)30-15-13-20(14-16-30)26(32)28-21-7-11-23(12-8-21)33-25-17-24(34-29-25)27(2,3)4/h5-12,17,20H,13-16H2,1-4H3,(H,28,32).
What are the key properties of 1-(4-acetylphenyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]piperidine-4-carboxamide?
1-(4-acetylphenyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]piperidine-4-carboxamide has a molecular weight of 461.56 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 143052936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).