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

C14H22N4O2 — CID 47219829

IUPACN-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(Cc2nc(C3CC3)no2)CC1
InChIInChI=1S/C14H22N4O2/c1-10(19)15-8-11-4-6-18(7-5-11)9-13-16-14(17-20-13)12-2-3-12/h11-12H,2-9H2,1H3,(H,15,19)
InChIKeyXNCLDZKUWLLRBU-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.30
Rot. Bonds5

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

N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide (PubChem CID 47219829) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide
PubChem CID47219829
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(Cc2nc(C3CC3)no2)CC1
InChIInChI=1S/C14H22N4O2/c1-10(19)15-8-11-4-6-18(7-5-11)9-13-16-14(17-20-13)12-2-3-12/h11-12H,2-9H2,1H3,(H,15,19)
InChIKeyXNCLDZKUWLLRBU-UHFFFAOYSA-N
XLogP1.30
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide (CID 47219829) is N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(Cc2nc(C3CC3)no2)CC1.
What is the InChIKey of N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is XNCLDZKUWLLRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(19)15-8-11-4-6-18(7-5-11)9-13-16-14(17-20-13)12-2-3-12/h11-12H,2-9H2,1H3,(H,15,19).
What are the key properties of N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 278.36 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 47219829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).