N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpiperidin-4-amine

C13H24N4O — CID 43607682

IUPACN-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpiperidin-4-amine
SMILESCN(Cc1nnc(C(C)(C)C)o1)C1CCNCC1
InChIInChI=1S/C13H24N4O/c1-13(2,3)12-16-15-11(18-12)9-17(4)10-5-7-14-8-6-10/h10,14H,5-9H2,1-4H3
InChIKeyNUTFQHCTDMJVCD-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.55
Rot. Bonds3

About N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpiperidin-4-amine

N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpiperidin-4-amine (PubChem CID 43607682) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpiperidin-4-amine
PubChem CID43607682
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpiperidin-4-amine
SMILESCN(Cc1nnc(C(C)(C)C)o1)C1CCNCC1
InChIInChI=1S/C13H24N4O/c1-13(2,3)12-16-15-11(18-12)9-17(4)10-5-7-14-8-6-10/h10,14H,5-9H2,1-4H3
InChIKeyNUTFQHCTDMJVCD-UHFFFAOYSA-N
XLogP1.55
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-{4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl}propanamide
CID 71910786
2-[1-[4-(3,3-Dimethylbutyl)piperazin-1-yl]ethyl]-5-ethyl-1,3,4-oxadiazole
CID 53599398
N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 38146777
N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]propanamide
CID 45826491
Dimethyl({[5-(piperidin-2-yl)-1,3,4-oxadiazol-2-yl]methyl})amine
CID 82673192
(3S)-4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpiperazin-2-one
CID 95157382
(2S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide
CID 164635902
2,2-dimethyl-N-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)propanamide
CID 163354475
2,2-dimethyl-N-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-3-yl)propanamide
CID 163357594
N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]acetamide
CID 51081654
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-isopropyl-2-(1-isopropyl-3-oxo-2-piperazinyl)acetamide
CID 56895504
1-[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine
CID 43556526

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpiperidin-4-amine?
The IUPAC name of N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpiperidin-4-amine (CID 43607682) is N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpiperidin-4-amine is CN(Cc1nnc(C(C)(C)C)o1)C1CCNCC1.
What is the InChIKey of N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpiperidin-4-amine?
The InChIKey is NUTFQHCTDMJVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-13(2,3)12-16-15-11(18-12)9-17(4)10-5-7-14-8-6-10/h10,14H,5-9H2,1-4H3.
What are the key properties of N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpiperidin-4-amine?
N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpiperidin-4-amine has a molecular weight of 252.36 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 43607682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).