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

C13H24N4O — CID 79714567

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCCCN(Cc1nc(C)no1)CC1CCNCC1
InChIInChI=1S/C13H24N4O/c1-3-8-17(9-12-4-6-14-7-5-12)10-13-15-11(2)16-18-13/h12,14H,3-10H2,1-2H3
InChIKeyNVJLHFIKJXCQBX-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.59
Rot. Bonds6

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

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine (PubChem CID 79714567) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
PubChem CID79714567
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCCCN(Cc1nc(C)no1)CC1CCNCC1
InChIInChI=1S/C13H24N4O/c1-3-8-17(9-12-4-6-14-7-5-12)10-13-15-11(2)16-18-13/h12,14H,3-10H2,1-2H3
InChIKeyNVJLHFIKJXCQBX-UHFFFAOYSA-N
XLogP1.59
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(piperidin-4-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 79701543
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615842
N-[(2-ethylpyrazol-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 114556405
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 63006477
N-(piperidin-4-ylmethyl)-N-[(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 114556404
N-(piperidin-2-ylmethyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 106636093
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79716550
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79717184
N-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79715126
N-[(1-ethylpyrazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79714314
N-[(3-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79715336
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79705553

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine (CID 79714567) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine is CCCN(Cc1nc(C)no1)CC1CCNCC1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The InChIKey is NVJLHFIKJXCQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-8-17(9-12-4-6-14-7-5-12)10-13-15-11(2)16-18-13/h12,14H,3-10H2,1-2H3.
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 79714567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).