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

C24H34N4O4 — CID 53023440

IUPACN-cycloheptyl-1-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
SMILESCCOc1ccc(-c2noc(N3CCC(C(=O)NC4CCCCCC4)CC3)n2)cc1OC
InChIInChI=1S/C24H34N4O4/c1-3-31-20-11-10-18(16-21(20)30-2)22-26-24(32-27-22)28-14-12-17(13-15-28)23(29)25-19-8-6-4-5-7-9-19/h10-11,16-17,19H,3-9,12-15H2,1-2H3,(H,25,29)
InChIKeyGBPRGSWKDZLSRS-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.20
Rot. Bonds7

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

N-cycloheptyl-1-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide (PubChem CID 53023440) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-cycloheptyl-1-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
PubChem CID53023440
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC NameN-cycloheptyl-1-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
SMILESCCOc1ccc(-c2noc(N3CCC(C(=O)NC4CCCCCC4)CC3)n2)cc1OC
InChIInChI=1S/C24H34N4O4/c1-3-31-20-11-10-18(16-21(20)30-2)22-26-24(32-27-22)28-14-12-17(13-15-28)23(29)25-19-8-6-4-5-7-9-19/h10-11,16-17,19H,3-9,12-15H2,1-2H3,(H,25,29)
InChIKeyGBPRGSWKDZLSRS-UHFFFAOYSA-N
XLogP4.20
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cycloheptyl-1-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methoxyphenyl)-1-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 53051297
1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-4-carboxamide
CID 22334890
3-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole
CID 46276326
1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 53030315
N-(1-benzylpiperidin-4-yl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 46358353
(3R)-N-cyclopentyl-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 26772896
N-[2-(4-ethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519652
N-(3-ethoxypropyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519609
N-cyclohexyl-2-[2-methoxy-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 46267182
N-[3-(azepan-1-yl)propyl]-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 20922951
[1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 53030318
N-(3,5-dimethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 46358363

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide (CID 53023440) is N-cycloheptyl-1-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide is CCOc1ccc(-c2noc(N3CCC(C(=O)NC4CCCCCC4)CC3)n2)cc1OC.
What is the InChIKey of N-cycloheptyl-1-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
The InChIKey is GBPRGSWKDZLSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-3-31-20-11-10-18(16-21(20)30-2)22-26-24(32-27-22)28-14-12-17(13-15-28)23(29)25-19-8-6-4-5-7-9-19/h10-11,16-17,19H,3-9,12-15H2,1-2H3,(H,25,29).
What are the key properties of N-cycloheptyl-1-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
N-cycloheptyl-1-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53023440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).