N-[(3R,4S)-3-benzyl-1-methylpiperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine

C17H24N4O — CID 164639420

IUPACN-[(3R,4S)-3-benzyl-1-methylpiperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(N[C@H]2CCN(C)C[C@H]2Cc2ccccc2)o1
InChIInChI=1S/C17H24N4O/c1-3-16-19-20-17(22-16)18-15-9-10-21(2)12-14(15)11-13-7-5-4-6-8-13/h4-8,14-15H,3,9-12H2,1-2H3,(H,18,20)/t14-,15+/m1/s1
InChIKeyUWYVUKVYEUXYQK-CABCVRRESA-N
MW300.41 g/mol
LogP2.61
Rot. Bonds5

About N-[(3R,4S)-3-benzyl-1-methylpiperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine

N-[(3R,4S)-3-benzyl-1-methylpiperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine (PubChem CID 164639420) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[(3R,4S)-3-benzyl-1-methylpiperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(3R,4S)-3-benzyl-1-methylpiperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine
PubChem CID164639420
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-[(3R,4S)-3-benzyl-1-methylpiperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(N[C@H]2CCN(C)C[C@H]2Cc2ccccc2)o1
InChIInChI=1S/C17H24N4O/c1-3-16-19-20-17(22-16)18-15-9-10-21(2)12-14(15)11-13-7-5-4-6-8-13/h4-8,14-15H,3,9-12H2,1-2H3,(H,18,20)/t14-,15+/m1/s1
InChIKeyUWYVUKVYEUXYQK-CABCVRRESA-N
XLogP2.61
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-benzyl-1-methylpiperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(3R,4S)-3-benzyl-1-methylpiperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine (CID 164639420) is N-[(3R,4S)-3-benzyl-1-methylpiperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(3R,4S)-3-benzyl-1-methylpiperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(3R,4S)-3-benzyl-1-methylpiperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine is CCc1nnc(N[C@H]2CCN(C)C[C@H]2Cc2ccccc2)o1.
What is the InChIKey of N-[(3R,4S)-3-benzyl-1-methylpiperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine?
The InChIKey is UWYVUKVYEUXYQK-CABCVRRESA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-16-19-20-17(22-16)18-15-9-10-21(2)12-14(15)11-13-7-5-4-6-8-13/h4-8,14-15H,3,9-12H2,1-2H3,(H,18,20)/t14-,15+/m1/s1.
What are the key properties of N-[(3R,4S)-3-benzyl-1-methylpiperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine?
N-[(3R,4S)-3-benzyl-1-methylpiperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine has a molecular weight of 300.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-benzyl-1-methylpiperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 164639420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).