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

C16H26N4O2 — CID 171335666

IUPACN-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]cyclobutanecarboxamide
SMILESCc1nnc(CN2CCC(CN(C)C(=O)C3CCC3)CC2)o1
InChIInChI=1S/C16H26N4O2/c1-12-17-18-15(22-12)11-20-8-6-13(7-9-20)10-19(2)16(21)14-4-3-5-14/h13-14H,3-11H2,1-2H3
InChIKeyREKFSDCZDLHGEI-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.85
Rot. Bonds5

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

N-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]cyclobutanecarboxamide (PubChem CID 171335666) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]cyclobutanecarboxamide
PubChem CID171335666
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]cyclobutanecarboxamide
SMILESCc1nnc(CN2CCC(CN(C)C(=O)C3CCC3)CC2)o1
InChIInChI=1S/C16H26N4O2/c1-12-17-18-15(22-12)11-20-8-6-13(7-9-20)10-19(2)16(21)14-4-3-5-14/h13-14H,3-11H2,1-2H3
InChIKeyREKFSDCZDLHGEI-UHFFFAOYSA-N
XLogP1.85
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]cyclobutanecarboxamide (CID 171335666) is N-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]cyclobutanecarboxamide is Cc1nnc(CN2CCC(CN(C)C(=O)C3CCC3)CC2)o1.
What is the InChIKey of N-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]cyclobutanecarboxamide?
The InChIKey is REKFSDCZDLHGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12-17-18-15(22-12)11-20-8-6-13(7-9-20)10-19(2)16(21)14-4-3-5-14/h13-14H,3-11H2,1-2H3.
What are the key properties of N-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]cyclobutanecarboxamide?
N-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]cyclobutanecarboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 171335666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).