N-[2-(4-methoxyphenyl)ethyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine

C19H28N4O2 — CID 56779667

IUPACN-[2-(4-methoxyphenyl)ethyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
SMILESCOc1ccc(CCN(C)C2CCCN(Cc3noc(C)n3)C2)cc1
InChIInChI=1S/C19H28N4O2/c1-15-20-19(21-25-15)14-23-11-4-5-17(13-23)22(2)12-10-16-6-8-18(24-3)9-7-16/h6-9,17H,4-5,10-14H2,1-3H3
InChIKeyRWHNSTJMMSUKMO-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.53
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine

N-[2-(4-methoxyphenyl)ethyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine (PubChem CID 56779667) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
PubChem CID56779667
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
SMILESCOc1ccc(CCN(C)C2CCCN(Cc3noc(C)n3)C2)cc1
InChIInChI=1S/C19H28N4O2/c1-15-20-19(21-25-15)14-23-11-4-5-17(13-23)22(2)12-10-16-6-8-18(24-3)9-7-16/h6-9,17H,4-5,10-14H2,1-3H3
InChIKeyRWHNSTJMMSUKMO-UHFFFAOYSA-N
XLogP2.53
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-methoxyphenyl)ethyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-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-[2-(4-methoxyphenyl)ethyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine (CID 56779667) is N-[2-(4-methoxyphenyl)ethyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine is COc1ccc(CCN(C)C2CCCN(Cc3noc(C)n3)C2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine?
The InChIKey is RWHNSTJMMSUKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15-20-19(21-25-15)14-23-11-4-5-17(13-23)22(2)12-10-16-6-8-18(24-3)9-7-16/h6-9,17H,4-5,10-14H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine?
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine has a molecular weight of 344.46 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 56779667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).