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

C21H29N5O4 — CID 53166989

IUPAC1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)NCCN4CCOCC4)CC3)o2)cc1
InChIInChI=1S/C21H29N5O4/c1-28-18-4-2-17(3-5-18)20-23-24-21(30-20)26-9-6-16(7-10-26)19(27)22-8-11-25-12-14-29-15-13-25/h2-5,16H,6-15H2,1H3,(H,22,27)
InChIKeyLBVFKLWJYGFCRQ-UHFFFAOYSA-N
MW415.49 g/mol
LogP1.41
Rot. Bonds7

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

1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (PubChem CID 53166989) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
PubChem CID53166989
Molecular FormulaC21H29N5O4
Molecular Weight415.49 g/mol
Exact Mass415.22
IUPAC Name1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)NCCN4CCOCC4)CC3)o2)cc1
InChIInChI=1S/C21H29N5O4/c1-28-18-4-2-17(3-5-18)20-23-24-21(30-20)26-9-6-16(7-10-26)19(27)22-8-11-25-12-14-29-15-13-25/h2-5,16H,6-15H2,1H3,(H,22,27)
InChIKeyLBVFKLWJYGFCRQ-UHFFFAOYSA-N
XLogP1.41
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (CID 53166989) is 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is COc1ccc(-c2nnc(N3CCC(C(=O)NCCN4CCOCC4)CC3)o2)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The InChIKey is LBVFKLWJYGFCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4/c1-28-18-4-2-17(3-5-18)20-23-24-21(30-20)26-9-6-16(7-10-26)19(27)22-8-11-25-12-14-29-15-13-25/h2-5,16H,6-15H2,1H3,(H,22,27).
What are the key properties of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53166989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).