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

C22H31N5O3 — CID 53167038

IUPAC1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)NCCN4CCCCC4)CC3)o2)cc1
InChIInChI=1S/C22H31N5O3/c1-29-19-7-5-18(6-8-19)21-24-25-22(30-21)27-14-9-17(10-15-27)20(28)23-11-16-26-12-3-2-4-13-26/h5-8,17H,2-4,9-16H2,1H3,(H,23,28)
InChIKeyKNNYZIMDUAPZGU-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.56
Rot. Bonds7

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

1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide (PubChem CID 53167038) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
PubChem CID53167038
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC Name1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)NCCN4CCCCC4)CC3)o2)cc1
InChIInChI=1S/C22H31N5O3/c1-29-19-7-5-18(6-8-19)21-24-25-22(30-21)27-14-9-17(10-15-27)20(28)23-11-16-26-12-3-2-4-13-26/h5-8,17H,2-4,9-16H2,1H3,(H,23,28)
InChIKeyKNNYZIMDUAPZGU-UHFFFAOYSA-N
XLogP2.56
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-piperidin-1-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide (CID 53167038) is 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide is COc1ccc(-c2nnc(N3CCC(C(=O)NCCN4CCCCC4)CC3)o2)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide?
The InChIKey is KNNYZIMDUAPZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-29-19-7-5-18(6-8-19)21-24-25-22(30-21)27-14-9-17(10-15-27)20(28)23-11-16-26-12-3-2-4-13-26/h5-8,17H,2-4,9-16H2,1H3,(H,23,28).
What are the key properties of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide?
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53167038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).