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

C17H27N7O2 — CID 131918392

IUPACN-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCCc1noc(CN2CCCC(CNC(=O)CCCn3cncn3)C2)n1
InChIInChI=1S/C17H27N7O2/c1-2-15-21-17(26-22-15)11-23-7-3-5-14(10-23)9-19-16(25)6-4-8-24-13-18-12-20-24/h12-14H,2-11H2,1H3,(H,19,25)
InChIKeyOYCHONVXCDITFV-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.03
Rot. Bonds9

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

N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 131918392) has the molecular formula C17H27N7O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID131918392
Molecular FormulaC17H27N7O2
Molecular Weight361.45 g/mol
Exact Mass361.22
IUPAC NameN-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCCc1noc(CN2CCCC(CNC(=O)CCCn3cncn3)C2)n1
InChIInChI=1S/C17H27N7O2/c1-2-15-21-17(26-22-15)11-23-7-3-5-14(10-23)9-19-16(25)6-4-8-24-13-18-12-20-24/h12-14H,2-11H2,1H3,(H,19,25)
InChIKeyOYCHONVXCDITFV-UHFFFAOYSA-N
XLogP1.03
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide (CID 131918392) is N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide is CCc1noc(CN2CCCC(CNC(=O)CCCn3cncn3)C2)n1.
What is the InChIKey of N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is OYCHONVXCDITFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O2/c1-2-15-21-17(26-22-15)11-23-7-3-5-14(10-23)9-19-16(25)6-4-8-24-13-18-12-20-24/h12-14H,2-11H2,1H3,(H,19,25).
What are the key properties of N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide?
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 361.45 g/mol, XLogP of 1.03, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 131918392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).