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

C27H36N4O4 — CID 46275109

IUPACN-[2-(1-adamantyloxy)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(N3CCCC(C(=O)NCCOC45CC6CC(CC(C6)C4)C5)C3)n2)cc1
InChIInChI=1S/C27H36N4O4/c1-33-23-6-4-21(5-7-23)24-29-26(35-30-24)31-9-2-3-22(17-31)25(32)28-8-10-34-27-14-18-11-19(15-27)13-20(12-18)16-27/h4-7,18-20,22H,2-3,8-17H2,1H3,(H,28,32)
InChIKeyXDKZBEUJOZCBPM-UHFFFAOYSA-N
MW480.61 g/mol
LogP4.06
Rot. Bonds8

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

N-[2-(1-adamantyloxy)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide (PubChem CID 46275109) has the molecular formula C27H36N4O4 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-[2-(1-adamantyloxy)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-adamantyloxy)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
PubChem CID46275109
Molecular FormulaC27H36N4O4
Molecular Weight480.61 g/mol
Exact Mass480.27
IUPAC NameN-[2-(1-adamantyloxy)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(N3CCCC(C(=O)NCCOC45CC6CC(CC(C6)C4)C5)C3)n2)cc1
InChIInChI=1S/C27H36N4O4/c1-33-23-6-4-21(5-7-23)24-29-26(35-30-24)31-9-2-3-22(17-31)25(32)28-8-10-34-27-14-18-11-19(15-27)13-20(12-18)16-27/h4-7,18-20,22H,2-3,8-17H2,1H3,(H,28,32)
InChIKeyXDKZBEUJOZCBPM-UHFFFAOYSA-N
XLogP4.06
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92705220
(3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92705221
(3S)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 129424366
N-[2-(2,4-dimethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20904909
(3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide
CID 98471979
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide
CID 126459659
(3R)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 92886568
(3R)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 92886567
N-[(2-chlorophenyl)methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20904891
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 46275103
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 20904897
N-(3,4-dimethylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20873273

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyloxy)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(1-adamantyloxy)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide (CID 46275109) is N-[2-(1-adamantyloxy)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(1-adamantyloxy)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(1-adamantyloxy)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide is COc1ccc(-c2noc(N3CCCC(C(=O)NCCOC45CC6CC(CC(C6)C4)C5)C3)n2)cc1.
What is the InChIKey of N-[2-(1-adamantyloxy)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
The InChIKey is XDKZBEUJOZCBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O4/c1-33-23-6-4-21(5-7-23)24-29-26(35-30-24)31-9-2-3-22(17-31)25(32)28-8-10-34-27-14-18-11-19(15-27)13-20(12-18)16-27/h4-7,18-20,22H,2-3,8-17H2,1H3,(H,28,32).
What are the key properties of N-[2-(1-adamantyloxy)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
N-[2-(1-adamantyloxy)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide has a molecular weight of 480.61 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyloxy)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 46275109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).