N-[1-(4-tert-butylphenyl)ethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide

C28H36N4O3 — CID 43930963

IUPACN-[1-(4-tert-butylphenyl)ethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(CN3CCCC(C(=O)NC(C)c4ccc(C(C)(C)C)cc4)C3)n2)cc1
InChIInChI=1S/C28H36N4O3/c1-19(20-8-12-23(13-9-20)28(2,3)4)29-27(33)22-7-6-16-32(17-22)18-25-30-26(31-35-25)21-10-14-24(34-5)15-11-21/h8-15,19,22H,6-7,16-18H2,1-5H3,(H,29,33)
InChIKeyUZSYJFZFJNZQQS-UHFFFAOYSA-N
MW476.62 g/mol
LogP5.13
Rot. Bonds7

About N-[1-(4-tert-butylphenyl)ethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide

N-[1-(4-tert-butylphenyl)ethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (PubChem CID 43930963) has the molecular formula C28H36N4O3 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
PubChem CID43930963
Molecular FormulaC28H36N4O3
Molecular Weight476.62 g/mol
Exact Mass476.28
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(CN3CCCC(C(=O)NC(C)c4ccc(C(C)(C)C)cc4)C3)n2)cc1
InChIInChI=1S/C28H36N4O3/c1-19(20-8-12-23(13-9-20)28(2,3)4)29-27(33)22-7-6-16-32(17-22)18-25-30-26(31-35-25)21-10-14-24(34-5)15-11-21/h8-15,19,22H,6-7,16-18H2,1-5H3,(H,29,33)
InChIKeyUZSYJFZFJNZQQS-UHFFFAOYSA-N
XLogP5.13
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 43933936
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 43932348
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-3-carboxamide
CID 43931523
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide
CID 43930929
N-cyclopropyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930815
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 43932235
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-3-carboxamide
CID 43931125
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 43927574
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 43931891
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide
CID 43932314
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 43931974
N-cyclohexyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930723

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (CID 43930963) is N-[1-(4-tert-butylphenyl)ethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is COc1ccc(-c2noc(CN3CCCC(C(=O)NC(C)c4ccc(C(C)(C)C)cc4)C3)n2)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The InChIKey is UZSYJFZFJNZQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O3/c1-19(20-8-12-23(13-9-20)28(2,3)4)29-27(33)22-7-6-16-32(17-22)18-25-30-26(31-35-25)21-10-14-24(34-5)15-11-21/h8-15,19,22H,6-7,16-18H2,1-5H3,(H,29,33).
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
N-[1-(4-tert-butylphenyl)ethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide has a molecular weight of 476.62 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43930963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).