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

C16H25F3N4O2 — CID 129330225

IUPACN-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1noc([C@@H](NC2CCN(CC(F)(F)F)CC2)C2CCOCC2)n1
InChIInChI=1S/C16H25F3N4O2/c1-11-20-15(25-22-11)14(12-4-8-24-9-5-12)21-13-2-6-23(7-3-13)10-16(17,18)19/h12-14,21H,2-10H2,1H3/t14-/m0/s1
InChIKeyHOFVRQUJTBSMMA-AWEZNQCLSA-N
MW362.40 g/mol
LogP2.46
Rot. Bonds5

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

N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 129330225) has the molecular formula C16H25F3N4O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID129330225
Molecular FormulaC16H25F3N4O2
Molecular Weight362.40 g/mol
Exact Mass362.19
IUPAC NameN-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1noc([C@@H](NC2CCN(CC(F)(F)F)CC2)C2CCOCC2)n1
InChIInChI=1S/C16H25F3N4O2/c1-11-20-15(25-22-11)14(12-4-8-24-9-5-12)21-13-2-6-23(7-3-13)10-16(17,18)19/h12-14,21H,2-10H2,1H3/t14-/m0/s1
InChIKeyHOFVRQUJTBSMMA-AWEZNQCLSA-N
XLogP2.46
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 129330225) is N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is Cc1noc([C@@H](NC2CCN(CC(F)(F)F)CC2)C2CCOCC2)n1.
What is the InChIKey of N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is HOFVRQUJTBSMMA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25F3N4O2/c1-11-20-15(25-22-11)14(12-4-8-24-9-5-12)21-13-2-6-23(7-3-13)10-16(17,18)19/h12-14,21H,2-10H2,1H3/t14-/m0/s1.
What are the key properties of N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 362.40 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 129330225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).