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

C20H29N5O2 — CID 110617440

IUPACN-[2-(4-tert-butylphenyl)ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide
SMILESCc1nnc(N2CCN(C(=O)NCCc3ccc(C(C)(C)C)cc3)CC2)o1
InChIInChI=1S/C20H29N5O2/c1-15-22-23-19(27-15)25-13-11-24(12-14-25)18(26)21-10-9-16-5-7-17(8-6-16)20(2,3)4/h5-8H,9-14H2,1-4H3,(H,21,26)
InChIKeyRBBOOGYHQIWCHU-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.75
Rot. Bonds4

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

N-[2-(4-tert-butylphenyl)ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide (PubChem CID 110617440) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide
PubChem CID110617440
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-[2-(4-tert-butylphenyl)ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide
SMILESCc1nnc(N2CCN(C(=O)NCCc3ccc(C(C)(C)C)cc3)CC2)o1
InChIInChI=1S/C20H29N5O2/c1-15-22-23-19(27-15)25-13-11-24(12-14-25)18(26)21-10-9-16-5-7-17(8-6-16)20(2,3)4/h5-8H,9-14H2,1-4H3,(H,21,26)
InChIKeyRBBOOGYHQIWCHU-UHFFFAOYSA-N
XLogP2.75
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-tert-butylphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butan-1-one
CID 110419621
3-(4-methoxyphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110419085
1-N-[2-(4-tert-butylphenyl)ethyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 51122160
tert-butyl 4-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]piperazine-1-carboxylate
CID 30264016
N-(4-chlorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide
CID 110419056
N-[2-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443632
4-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide
CID 27537143
4-(4-tert-butylphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109445
4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide
CID 86869124
3-(4-tert-butylphenyl)-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 110395606
4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 108891161
furan-2-yl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110603036

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide (CID 110617440) is N-[2-(4-tert-butylphenyl)ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide is Cc1nnc(N2CCN(C(=O)NCCc3ccc(C(C)(C)C)cc3)CC2)o1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is RBBOOGYHQIWCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-15-22-23-19(27-15)25-13-11-24(12-14-25)18(26)21-10-9-16-5-7-17(8-6-16)20(2,3)4/h5-8H,9-14H2,1-4H3,(H,21,26).
What are the key properties of N-[2-(4-tert-butylphenyl)ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide?
N-[2-(4-tert-butylphenyl)ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 110617440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).