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

C16H30N4O — CID 63847274

IUPAC2-methyl-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCCN(Cc2nc(C(C)C)no2)C1
InChIInChI=1S/C16H30N4O/c1-12(2)8-17-9-14-6-5-7-20(10-14)11-15-18-16(13(3)4)19-21-15/h12-14,17H,5-11H2,1-4H3
InChIKeyMMCBDHLODGAOBT-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.65
Rot. Bonds7

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

2-methyl-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]propan-1-amine (PubChem CID 63847274) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]propan-1-amine
PubChem CID63847274
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-methyl-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCCN(Cc2nc(C(C)C)no2)C1
InChIInChI=1S/C16H30N4O/c1-12(2)8-17-9-14-6-5-7-20(10-14)11-15-18-16(13(3)4)19-21-15/h12-14,17H,5-11H2,1-4H3
InChIKeyMMCBDHLODGAOBT-UHFFFAOYSA-N
XLogP2.65
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]propan-1-amine with MolForge

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Related Compounds

2-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728362
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 63847810
[(3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 129367833
3-propan-2-yl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95311298
(3S)-N-[(2S)-pentan-2-yl]-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 94378643
2-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62591662
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43556709
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60719354
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 63849645
3-(2-methylpropyl)-5-[[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95313120
2,4-dimethyl-N-[[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 131931577
3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 79867470

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]propan-1-amine (CID 63847274) is 2-methyl-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]propan-1-amine is CC(C)CNCC1CCCN(Cc2nc(C(C)C)no2)C1.
What is the InChIKey of 2-methyl-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]propan-1-amine?
The InChIKey is MMCBDHLODGAOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-12(2)8-17-9-14-6-5-7-20(10-14)11-15-18-16(13(3)4)19-21-15/h12-14,17H,5-11H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]propan-1-amine?
2-methyl-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]propan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 63847274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).