N-butan-2-yl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide

C19H26N4O3 — CID 53166981

IUPACN-butan-2-yl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)o2)CC1
InChIInChI=1S/C19H26N4O3/c1-4-13(2)20-17(24)14-9-11-23(12-10-14)19-22-21-18(26-19)15-5-7-16(25-3)8-6-15/h5-8,13-14H,4,9-12H2,1-3H3,(H,20,24)
InChIKeyTYETZSFRCBGNFV-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.88
Rot. Bonds6

About N-butan-2-yl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide

N-butan-2-yl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 53166981) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-butan-2-yl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
PubChem CID53166981
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-butan-2-yl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)o2)CC1
InChIInChI=1S/C19H26N4O3/c1-4-13(2)20-17(24)14-9-11-23(12-10-14)19-22-21-18(26-19)15-5-7-16(25-3)8-6-15/h5-8,13-14H,4,9-12H2,1-3H3,(H,20,24)
InChIKeyTYETZSFRCBGNFV-UHFFFAOYSA-N
XLogP2.88
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4686761
(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
CID 146648736
5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,3,4-oxadiazol-2-amine
CID 146511999
5-[4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,3,4-oxadiazol-2-amine
CID 162369050
N-cyclohexyl-2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 697202
5-(4-ethoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-oxadiazol-2-amine
CID 2123627
1-(2-Ethylpiperidyl)-2-[5-(4-methoxyphenyl)(1,3,4-oxadiazol-2-ylthio)]ethan-1-one
CID 3186454
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 4361989
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 4425060
(2R)-2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
CID 134152269
N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4876781
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide
CID 2937741

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (CID 53166981) is N-butan-2-yl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)o2)CC1.
What is the InChIKey of N-butan-2-yl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is TYETZSFRCBGNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-4-13(2)20-17(24)14-9-11-23(12-10-14)19-22-21-18(26-19)15-5-7-16(25-3)8-6-15/h5-8,13-14H,4,9-12H2,1-3H3,(H,20,24).
What are the key properties of N-butan-2-yl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
N-butan-2-yl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53166981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).