4-(1,2,4-oxadiazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide

C17H20N4O2 — CID 45267348

IUPAC4-(1,2,4-oxadiazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
SMILESO=C(NC1CC1c1ccccc1)N1CCC(c2ncon2)CC1
InChIInChI=1S/C17H20N4O2/c22-17(19-15-10-14(15)12-4-2-1-3-5-12)21-8-6-13(7-9-21)16-18-11-23-20-16/h1-5,11,13-15H,6-10H2,(H,19,22)
InChIKeyVWTOOZUTLQWOPP-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.51
Rot. Bonds3

About 4-(1,2,4-oxadiazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide

4-(1,2,4-oxadiazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide (PubChem CID 45267348) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-(1,2,4-oxadiazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1,2,4-oxadiazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
PubChem CID45267348
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name4-(1,2,4-oxadiazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
SMILESO=C(NC1CC1c1ccccc1)N1CCC(c2ncon2)CC1
InChIInChI=1S/C17H20N4O2/c22-17(19-15-10-14(15)12-4-2-1-3-5-12)21-8-6-13(7-9-21)16-18-11-23-20-16/h1-5,11,13-15H,6-10H2,(H,19,22)
InChIKeyVWTOOZUTLQWOPP-UHFFFAOYSA-N
XLogP2.51
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-oxadiazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1,2,4-oxadiazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide (CID 45267348) is 4-(1,2,4-oxadiazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1,2,4-oxadiazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1,2,4-oxadiazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide is O=C(NC1CC1c1ccccc1)N1CCC(c2ncon2)CC1.
What is the InChIKey of 4-(1,2,4-oxadiazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
The InChIKey is VWTOOZUTLQWOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-17(19-15-10-14(15)12-4-2-1-3-5-12)21-8-6-13(7-9-21)16-18-11-23-20-16/h1-5,11,13-15H,6-10H2,(H,19,22).
What are the key properties of 4-(1,2,4-oxadiazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
4-(1,2,4-oxadiazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-oxadiazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide is sourced from PubChem (CID 45267348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).