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

C16H30N4O — CID 79703559

IUPACN-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1nnc(C(C)(C)C)o1)CC1CCNCC1
InChIInChI=1S/C16H30N4O/c1-12(2)20(10-13-6-8-17-9-7-13)11-14-18-19-15(21-14)16(3,4)5/h12-13,17H,6-11H2,1-5H3
InChIKeyDLDMQEBIHCAKJX-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.58
Rot. Bonds5

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

N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine (PubChem CID 79703559) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
PubChem CID79703559
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1nnc(C(C)(C)C)o1)CC1CCNCC1
InChIInChI=1S/C16H30N4O/c1-12(2)20(10-13-6-8-17-9-7-13)11-14-18-19-15(21-14)16(3,4)5/h12-13,17H,6-11H2,1-5H3
InChIKeyDLDMQEBIHCAKJX-UHFFFAOYSA-N
XLogP2.58
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
The IUPAC name of N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine (CID 79703559) is N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine is CC(C)N(Cc1nnc(C(C)(C)C)o1)CC1CCNCC1.
What is the InChIKey of N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
The InChIKey is DLDMQEBIHCAKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-12(2)20(10-13-6-8-17-9-7-13)11-14-18-19-15(21-14)16(3,4)5/h12-13,17H,6-11H2,1-5H3.
What are the key properties of N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine has a molecular weight of 294.44 g/mol, XLogP of 2.58, 5 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-(piperidin-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 79703559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).