N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]ethanamine

C15H26N4O — CID 124755581

IUPACN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]ethanamine
SMILESC[C@H]1CCCCN1CCN(C)Cc1nnc(C2CC2)o1
InChIInChI=1S/C15H26N4O/c1-12-5-3-4-8-19(12)10-9-18(2)11-14-16-17-15(20-14)13-6-7-13/h12-13H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyQTIGRMNNHLOWIO-LBPRGKRZSA-N
MW278.40 g/mol
LogP2.25
Rot. Bonds6

About N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]ethanamine

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]ethanamine (PubChem CID 124755581) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]ethanamine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]ethanamine
PubChem CID124755581
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]ethanamine
SMILESC[C@H]1CCCCN1CCN(C)Cc1nnc(C2CC2)o1
InChIInChI=1S/C15H26N4O/c1-12-5-3-4-8-19(12)10-9-18(2)11-14-16-17-15(20-14)13-6-7-13/h12-13H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyQTIGRMNNHLOWIO-LBPRGKRZSA-N
XLogP2.25
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]ethanamine?
The IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]ethanamine (CID 124755581) is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]ethanamine.
What is the SMILES notation for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]ethanamine?
The canonical SMILES for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]ethanamine is C[C@H]1CCCCN1CCN(C)Cc1nnc(C2CC2)o1.
What is the InChIKey of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]ethanamine?
The InChIKey is QTIGRMNNHLOWIO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12-5-3-4-8-19(12)10-9-18(2)11-14-16-17-15(20-14)13-6-7-13/h12-13H,3-11H2,1-2H3/t12-/m0/s1.
What are the key properties of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]ethanamine?
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]ethanamine has a molecular weight of 278.40 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]ethanamine is sourced from PubChem (CID 124755581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).