N-benzyl-N-ethyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide

C23H27N5O2 — CID 53166127

IUPACN-benzyl-N-ethyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(c2ncccc2-c2noc(C)n2)CC1
InChIInChI=1S/C23H27N5O2/c1-3-27(16-18-8-5-4-6-9-18)23(29)19-11-14-28(15-12-19)22-20(10-7-13-24-22)21-25-17(2)30-26-21/h4-10,13,19H,3,11-12,14-16H2,1-2H3
InChIKeyPZLBTFIQLVHDLA-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.71
Rot. Bonds6

About N-benzyl-N-ethyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide

N-benzyl-N-ethyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 53166127) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID53166127
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-benzyl-N-ethyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(c2ncccc2-c2noc(C)n2)CC1
InChIInChI=1S/C23H27N5O2/c1-3-27(16-18-8-5-4-6-9-18)23(29)19-11-14-28(15-12-19)22-20(10-7-13-24-22)21-25-17(2)30-26-21/h4-10,13,19H,3,11-12,14-16H2,1-2H3
InChIKeyPZLBTFIQLVHDLA-UHFFFAOYSA-N
XLogP3.71
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166161
N-[(4-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166129
N-[(3-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166137
N-[1-(4-ethylphenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166155
(4-cyclohexylpiperazin-1-yl)-[1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-yl]methanone
CID 53166142
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
N-[1-(4-fluorophenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166154
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
N-benzyl-N-ethyl-1-[(2-phenylpyrazol-3-yl)methyl]piperidine-4-carboxamide
CID 131889434
methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate
CID 110754107
N-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46438676
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide (CID 53166127) is N-benzyl-N-ethyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)C1CCN(c2ncccc2-c2noc(C)n2)CC1.
What is the InChIKey of N-benzyl-N-ethyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is PZLBTFIQLVHDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-3-27(16-18-8-5-4-6-9-18)23(29)19-11-14-28(15-12-19)22-20(10-7-13-24-22)21-25-17(2)30-26-21/h4-10,13,19H,3,11-12,14-16H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide?
N-benzyl-N-ethyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 53166127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).