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

C24H27N5O3 — CID 175941960

IUPACN-[cyclopropyl(pyridin-2-yl)methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2noc(N3CCC(C(=O)NC(c4ccccn4)C4CC4)CC3)n2)cc1
InChIInChI=1S/C24H27N5O3/c1-31-19-9-7-17(8-10-19)22-27-24(32-28-22)29-14-11-18(12-15-29)23(30)26-21(16-5-6-16)20-4-2-3-13-25-20/h2-4,7-10,13,16,18,21H,5-6,11-12,14-15H2,1H3,(H,26,30)
InChIKeyZDSUYMFOCWWVJM-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.62
Rot. Bonds7

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

N-[cyclopropyl(pyridin-2-yl)methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide (PubChem CID 175941960) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[cyclopropyl(pyridin-2-yl)methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl(pyridin-2-yl)methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
PubChem CID175941960
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-[cyclopropyl(pyridin-2-yl)methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2noc(N3CCC(C(=O)NC(c4ccccn4)C4CC4)CC3)n2)cc1
InChIInChI=1S/C24H27N5O3/c1-31-19-9-7-17(8-10-19)22-27-24(32-28-22)29-14-11-18(12-15-29)23(30)26-21(16-5-6-16)20-4-2-3-13-25-20/h2-4,7-10,13,16,18,21H,5-6,11-12,14-15H2,1H3,(H,26,30)
InChIKeyZDSUYMFOCWWVJM-UHFFFAOYSA-N
XLogP3.62
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519629
N-(3,5-dimethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 46358363
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 46257727
N-(1-benzylpiperidin-4-yl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 46358353
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 22519570
N-(3,5-dimethylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519659
N-(3-ethoxypropyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519609
N-[2-(4-ethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519652
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 22519605
N-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519523
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide
CID 126459659
1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-4-carboxamide
CID 22334890

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(pyridin-2-yl)methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of N-[cyclopropyl(pyridin-2-yl)methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide (CID 175941960) is N-[cyclopropyl(pyridin-2-yl)methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[cyclopropyl(pyridin-2-yl)methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[cyclopropyl(pyridin-2-yl)methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide is COc1ccc(-c2noc(N3CCC(C(=O)NC(c4ccccn4)C4CC4)CC3)n2)cc1.
What is the InChIKey of N-[cyclopropyl(pyridin-2-yl)methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
The InChIKey is ZDSUYMFOCWWVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-31-19-9-7-17(8-10-19)22-27-24(32-28-22)29-14-11-18(12-15-29)23(30)26-21(16-5-6-16)20-4-2-3-13-25-20/h2-4,7-10,13,16,18,21H,5-6,11-12,14-15H2,1H3,(H,26,30).
What are the key properties of N-[cyclopropyl(pyridin-2-yl)methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
N-[cyclopropyl(pyridin-2-yl)methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(pyridin-2-yl)methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 175941960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).