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

C19H28N4O — CID 56882058

IUPACN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine
SMILESCCc1noc(CN(CCc2ccccc2)C2CCN(C)CC2)n1
InChIInChI=1S/C19H28N4O/c1-3-18-20-19(24-21-18)15-23(17-10-12-22(2)13-11-17)14-9-16-7-5-4-6-8-16/h4-8,17H,3,9-15H2,1-2H3
InChIKeyITAANDCYUONUKE-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.77
Rot. Bonds7

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

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine (PubChem CID 56882058) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine
PubChem CID56882058
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine
SMILESCCc1noc(CN(CCc2ccccc2)C2CCN(C)CC2)n1
InChIInChI=1S/C19H28N4O/c1-3-18-20-19(24-21-18)15-23(17-10-12-22(2)13-11-17)14-9-16-7-5-4-6-8-16/h4-8,17H,3,9-15H2,1-2H3
InChIKeyITAANDCYUONUKE-UHFFFAOYSA-N
XLogP2.77
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine (CID 56882058) is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine is CCc1noc(CN(CCc2ccccc2)C2CCN(C)CC2)n1.
What is the InChIKey of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine?
The InChIKey is ITAANDCYUONUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-3-18-20-19(24-21-18)15-23(17-10-12-22(2)13-11-17)14-9-16-7-5-4-6-8-16/h4-8,17H,3,9-15H2,1-2H3.
What are the key properties of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine?
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine has a molecular weight of 328.46 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 56882058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).