N-cyclopentyl-1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-3-methoxypiperidin-4-amine

C21H31N5O2 — CID 118263885

IUPACN-cyclopentyl-1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-3-methoxypiperidin-4-amine
SMILESCOC1CN(c2nc(C)c(C)cc2-c2nc(C)no2)CCC1NC1CCCC1
InChIInChI=1S/C21H31N5O2/c1-13-11-17(21-23-15(3)25-28-21)20(22-14(13)2)26-10-9-18(19(12-26)27-4)24-16-7-5-6-8-16/h11,16,18-19,24H,5-10,12H2,1-4H3
InChIKeyJRJOHFSLNLQIDJ-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.18
Rot. Bonds5

About N-cyclopentyl-1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-3-methoxypiperidin-4-amine

N-cyclopentyl-1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-3-methoxypiperidin-4-amine (PubChem CID 118263885) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-cyclopentyl-1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-3-methoxypiperidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-3-methoxypiperidin-4-amine
PubChem CID118263885
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC NameN-cyclopentyl-1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-3-methoxypiperidin-4-amine
SMILESCOC1CN(c2nc(C)c(C)cc2-c2nc(C)no2)CCC1NC1CCCC1
InChIInChI=1S/C21H31N5O2/c1-13-11-17(21-23-15(3)25-28-21)20(22-14(13)2)26-10-9-18(19(12-26)27-4)24-16-7-5-6-8-16/h11,16,18-19,24H,5-10,12H2,1-4H3
InChIKeyJRJOHFSLNLQIDJ-UHFFFAOYSA-N
XLogP3.18
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclopentyl-1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-3-methoxypiperidin-4-amine 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 N-cyclopentyl-1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-3-methoxypiperidin-4-amine?
The IUPAC name of N-cyclopentyl-1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-3-methoxypiperidin-4-amine (CID 118263885) is N-cyclopentyl-1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-3-methoxypiperidin-4-amine.
What is the SMILES notation for N-cyclopentyl-1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-3-methoxypiperidin-4-amine?
The canonical SMILES for N-cyclopentyl-1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-3-methoxypiperidin-4-amine is COC1CN(c2nc(C)c(C)cc2-c2nc(C)no2)CCC1NC1CCCC1.
What is the InChIKey of N-cyclopentyl-1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-3-methoxypiperidin-4-amine?
The InChIKey is JRJOHFSLNLQIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-13-11-17(21-23-15(3)25-28-21)20(22-14(13)2)26-10-9-18(19(12-26)27-4)24-16-7-5-6-8-16/h11,16,18-19,24H,5-10,12H2,1-4H3.
What are the key properties of N-cyclopentyl-1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-3-methoxypiperidin-4-amine?
N-cyclopentyl-1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-3-methoxypiperidin-4-amine has a molecular weight of 385.51 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-3-methoxypiperidin-4-amine is sourced from PubChem (CID 118263885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).