N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-phenylpiperidin-4-amine

C20H28N4O2 — CID 128982422

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-phenylpiperidin-4-amine
SMILESCc1noc(C(NC2CCN(c3ccccc3)CC2)C2CCOCC2)n1
InChIInChI=1S/C20H28N4O2/c1-15-21-20(26-23-15)19(16-9-13-25-14-10-16)22-17-7-11-24(12-8-17)18-5-3-2-4-6-18/h2-6,16-17,19,22H,7-14H2,1H3
InChIKeyKPJUJQDEDXXPCZ-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.10
Rot. Bonds5

About N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-phenylpiperidin-4-amine

N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-phenylpiperidin-4-amine (PubChem CID 128982422) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-phenylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-phenylpiperidin-4-amine
PubChem CID128982422
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-phenylpiperidin-4-amine
SMILESCc1noc(C(NC2CCN(c3ccccc3)CC2)C2CCOCC2)n1
InChIInChI=1S/C20H28N4O2/c1-15-21-20(26-23-15)19(16-9-13-25-14-10-16)22-17-7-11-24(12-8-17)18-5-3-2-4-6-18/h2-6,16-17,19,22H,7-14H2,1H3
InChIKeyKPJUJQDEDXXPCZ-UHFFFAOYSA-N
XLogP3.10
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-phenylpiperidin-4-amine?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-phenylpiperidin-4-amine (CID 128982422) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-phenylpiperidin-4-amine.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-phenylpiperidin-4-amine?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-phenylpiperidin-4-amine is Cc1noc(C(NC2CCN(c3ccccc3)CC2)C2CCOCC2)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-phenylpiperidin-4-amine?
The InChIKey is KPJUJQDEDXXPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15-21-20(26-23-15)19(16-9-13-25-14-10-16)22-17-7-11-24(12-8-17)18-5-3-2-4-6-18/h2-6,16-17,19,22H,7-14H2,1H3.
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-phenylpiperidin-4-amine?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-phenylpiperidin-4-amine has a molecular weight of 356.47 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-phenylpiperidin-4-amine is sourced from PubChem (CID 128982422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).