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

C17H25N5O — CID 71861469

IUPACN-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2-pyridin-2-ylethyl)piperidin-4-amine
SMILESCc1nnc(CN(C)C2CCN(CCc3ccccn3)CC2)o1
InChIInChI=1S/C17H25N5O/c1-14-19-20-17(23-14)13-21(2)16-7-11-22(12-8-16)10-6-15-5-3-4-9-18-15/h3-5,9,16H,6-8,10-13H2,1-2H3
InChIKeyBWXFBIKYYPPOMA-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.91
Rot. Bonds6

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

N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2-pyridin-2-ylethyl)piperidin-4-amine (PubChem CID 71861469) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2-pyridin-2-ylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2-pyridin-2-ylethyl)piperidin-4-amine
PubChem CID71861469
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2-pyridin-2-ylethyl)piperidin-4-amine
SMILESCc1nnc(CN(C)C2CCN(CCc3ccccn3)CC2)o1
InChIInChI=1S/C17H25N5O/c1-14-19-20-17(23-14)13-21(2)16-7-11-22(12-8-16)10-6-15-5-3-4-9-18-15/h3-5,9,16H,6-8,10-13H2,1-2H3
InChIKeyBWXFBIKYYPPOMA-UHFFFAOYSA-N
XLogP1.91
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2-pyridin-2-ylethyl)piperidin-4-amine?
The IUPAC name of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2-pyridin-2-ylethyl)piperidin-4-amine (CID 71861469) is N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2-pyridin-2-ylethyl)piperidin-4-amine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2-pyridin-2-ylethyl)piperidin-4-amine?
The canonical SMILES for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2-pyridin-2-ylethyl)piperidin-4-amine is Cc1nnc(CN(C)C2CCN(CCc3ccccn3)CC2)o1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2-pyridin-2-ylethyl)piperidin-4-amine?
The InChIKey is BWXFBIKYYPPOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-14-19-20-17(23-14)13-21(2)16-7-11-22(12-8-16)10-6-15-5-3-4-9-18-15/h3-5,9,16H,6-8,10-13H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2-pyridin-2-ylethyl)piperidin-4-amine?
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2-pyridin-2-ylethyl)piperidin-4-amine has a molecular weight of 315.42 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2-pyridin-2-ylethyl)piperidin-4-amine is sourced from PubChem (CID 71861469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).