N-[4-(4-methylpiperidin-1-yl)butyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide

C22H32N4O2 — CID 47888987

IUPACN-[4-(4-methylpiperidin-1-yl)butyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
SMILESCC1CCN(CCCCNC(=O)CCCc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C22H32N4O2/c1-18-12-16-26(17-13-18)15-6-5-14-23-20(27)10-7-11-21-24-25-22(28-21)19-8-3-2-4-9-19/h2-4,8-9,18H,5-7,10-17H2,1H3,(H,23,27)
InChIKeyIVTWQESCQORGMN-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.69
Rot. Bonds10

About N-[4-(4-methylpiperidin-1-yl)butyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide

N-[4-(4-methylpiperidin-1-yl)butyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide (PubChem CID 47888987) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)butyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)butyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
PubChem CID47888987
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC NameN-[4-(4-methylpiperidin-1-yl)butyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
SMILESCC1CCN(CCCCNC(=O)CCCc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C22H32N4O2/c1-18-12-16-26(17-13-18)15-6-5-14-23-20(27)10-7-11-21-24-25-22(28-21)19-8-3-2-4-9-19/h2-4,8-9,18H,5-7,10-17H2,1H3,(H,23,27)
InChIKeyIVTWQESCQORGMN-UHFFFAOYSA-N
XLogP3.69
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)butyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)butyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide (CID 47888987) is N-[4-(4-methylpiperidin-1-yl)butyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)butyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)butyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide is CC1CCN(CCCCNC(=O)CCCc2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)butyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?
The InChIKey is IVTWQESCQORGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-18-12-16-26(17-13-18)15-6-5-14-23-20(27)10-7-11-21-24-25-22(28-21)19-8-3-2-4-9-19/h2-4,8-9,18H,5-7,10-17H2,1H3,(H,23,27).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)butyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?
N-[4-(4-methylpiperidin-1-yl)butyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide has a molecular weight of 384.52 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)butyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide is sourced from PubChem (CID 47888987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).