N,2,2,6,6-pentamethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine

C18H27N5O — CID 42191280

IUPACN,2,2,6,6-pentamethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
SMILESCN(Cc1nc(-c2ccccn2)no1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H27N5O/c1-17(2)10-13(11-18(3,4)22-17)23(5)12-15-20-16(21-24-15)14-8-6-7-9-19-14/h6-9,13,22H,10-12H2,1-5H3
InChIKeyQYNFYQIHOXLIKK-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.87
Rot. Bonds4

About N,2,2,6,6-pentamethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine

N,2,2,6,6-pentamethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine (PubChem CID 42191280) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N,2,2,6,6-pentamethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,2,2,6,6-pentamethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
PubChem CID42191280
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN,2,2,6,6-pentamethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
SMILESCN(Cc1nc(-c2ccccn2)no1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H27N5O/c1-17(2)10-13(11-18(3,4)22-17)23(5)12-15-20-16(21-24-15)14-8-6-7-9-19-14/h6-9,13,22H,10-12H2,1-5H3
InChIKeyQYNFYQIHOXLIKK-UHFFFAOYSA-N
XLogP2.87
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,2,2,6,6-pentamethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine with MolForge

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 70761731
1-cyclopropyl-N-methyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 63347146
5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26772271
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60837872
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 66188094
5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 154530032
5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 80575366
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 82713825
N-methyl-3-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 50984748
5-(cyclopropylsulfonylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 171682421
N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70756620
5-(phenoxymethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 880364

Frequently Asked Questions

What is the IUPAC name of N,2,2,6,6-pentamethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
The IUPAC name of N,2,2,6,6-pentamethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine (CID 42191280) is N,2,2,6,6-pentamethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N,2,2,6,6-pentamethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
The canonical SMILES for N,2,2,6,6-pentamethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine is CN(Cc1nc(-c2ccccn2)no1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N,2,2,6,6-pentamethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
The InChIKey is QYNFYQIHOXLIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-17(2)10-13(11-18(3,4)22-17)23(5)12-15-20-16(21-24-15)14-8-6-7-9-19-14/h6-9,13,22H,10-12H2,1-5H3.
What are the key properties of N,2,2,6,6-pentamethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
N,2,2,6,6-pentamethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine has a molecular weight of 329.45 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2,6,6-pentamethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 42191280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).