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

C16H26N4O2 — CID 163357665

IUPACN-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]cyclobutanecarboxamide
SMILESCC(C)c1noc(CN2CCC(NC(=O)C3CCC3)CC2)n1
InChIInChI=1S/C16H26N4O2/c1-11(2)15-18-14(22-19-15)10-20-8-6-13(7-9-20)17-16(21)12-4-3-5-12/h11-13H,3-10H2,1-2H3,(H,17,21)
InChIKeySEALJIBJKCIFHL-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.07
Rot. Bonds5

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

N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]cyclobutanecarboxamide (PubChem CID 163357665) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]cyclobutanecarboxamide
PubChem CID163357665
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]cyclobutanecarboxamide
SMILESCC(C)c1noc(CN2CCC(NC(=O)C3CCC3)CC2)n1
InChIInChI=1S/C16H26N4O2/c1-11(2)15-18-14(22-19-15)10-20-8-6-13(7-9-20)17-16(21)12-4-3-5-12/h11-13H,3-10H2,1-2H3,(H,17,21)
InChIKeySEALJIBJKCIFHL-UHFFFAOYSA-N
XLogP2.07
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(3S)-N-cyclopropyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95503021
N-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 24649063
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60719354
(3S)-N-[(2S)-pentan-2-yl]-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 94378643
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43556709
3-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanoic acid
CID 62215670
5-[[4-(difluoromethyl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 166603058
(4-methylphenyl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone
CID 51087755
(4,4-difluoropiperidin-1-yl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanone
CID 166600665
[(3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 129367833
N-cyclopropyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-2-carboxamide
CID 86805159
N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 56784377

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]cyclobutanecarboxamide (CID 163357665) is N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]cyclobutanecarboxamide is CC(C)c1noc(CN2CCC(NC(=O)C3CCC3)CC2)n1.
What is the InChIKey of N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]cyclobutanecarboxamide?
The InChIKey is SEALJIBJKCIFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11(2)15-18-14(22-19-15)10-20-8-6-13(7-9-20)17-16(21)12-4-3-5-12/h11-13H,3-10H2,1-2H3,(H,17,21).
What are the key properties of N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]cyclobutanecarboxamide?
N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]cyclobutanecarboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 163357665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).