N-cyclopropyl-1-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide

C19H24N4O2 — CID 94651886

IUPACN-cyclopropyl-1-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
SMILESC[C@@H](c1nc(-c2ccccc2)no1)N1CCC(C(=O)NC2CC2)CC1
InChIInChI=1S/C19H24N4O2/c1-13(19-21-17(22-25-19)14-5-3-2-4-6-14)23-11-9-15(10-12-23)18(24)20-16-7-8-16/h2-6,13,15-16H,7-12H2,1H3,(H,20,24)/t13-/m0/s1
InChIKeyOFNQHOKJJVCOBX-ZDUSSCGKSA-N
MW340.43 g/mol
LogP2.79
Rot. Bonds5

About N-cyclopropyl-1-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide

N-cyclopropyl-1-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide (PubChem CID 94651886) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-cyclopropyl-1-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
PubChem CID94651886
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-cyclopropyl-1-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
SMILESC[C@@H](c1nc(-c2ccccc2)no1)N1CCC(C(=O)NC2CC2)CC1
InChIInChI=1S/C19H24N4O2/c1-13(19-21-17(22-25-19)14-5-3-2-4-6-14)23-11-9-15(10-12-23)18(24)20-16-7-8-16/h2-6,13,15-16H,7-12H2,1H3,(H,20,24)/t13-/m0/s1
InChIKeyOFNQHOKJJVCOBX-ZDUSSCGKSA-N
XLogP2.79
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide (CID 94651886) is N-cyclopropyl-1-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide is C[C@@H](c1nc(-c2ccccc2)no1)N1CCC(C(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-1-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is OFNQHOKJJVCOBX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(19-21-17(22-25-19)14-5-3-2-4-6-14)23-11-9-15(10-12-23)18(24)20-16-7-8-16/h2-6,13,15-16H,7-12H2,1H3,(H,20,24)/t13-/m0/s1.
What are the key properties of N-cyclopropyl-1-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide?
N-cyclopropyl-1-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 94651886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).