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

C23H33N5O3 — CID 53167037

IUPAC1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)NCCN4CCCCC4C)CC3)o2)cc1
InChIInChI=1S/C23H33N5O3/c1-17-5-3-4-13-27(17)16-12-24-21(29)18-10-14-28(15-11-18)23-26-25-22(31-23)19-6-8-20(30-2)9-7-19/h6-9,17-18H,3-5,10-16H2,1-2H3,(H,24,29)
InChIKeyUSDFERPWYYCRRQ-UHFFFAOYSA-N
MW427.55 g/mol
LogP2.95
Rot. Bonds7

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

1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 53167037) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
PubChem CID53167037
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC Name1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)NCCN4CCCCC4C)CC3)o2)cc1
InChIInChI=1S/C23H33N5O3/c1-17-5-3-4-13-27(17)16-12-24-21(29)18-10-14-28(15-11-18)23-26-25-22(31-23)19-6-8-20(30-2)9-7-19/h6-9,17-18H,3-5,10-16H2,1-2H3,(H,24,29)
InChIKeyUSDFERPWYYCRRQ-UHFFFAOYSA-N
XLogP2.95
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]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

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide (CID 53167037) is 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide is COc1ccc(-c2nnc(N3CCC(C(=O)NCCN4CCCCC4C)CC3)o2)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is USDFERPWYYCRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-17-5-3-4-13-27(17)16-12-24-21(29)18-10-14-28(15-11-18)23-26-25-22(31-23)19-6-8-20(30-2)9-7-19/h6-9,17-18H,3-5,10-16H2,1-2H3,(H,24,29).
What are the key properties of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide?
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 2.95, 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-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 53167037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).