N-[(1-ethylpiperidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C25H32N6O2 — CID 56661562

IUPACN-[(1-ethylpiperidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCCN1CCCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C25H32N6O2/c1-2-30-14-6-5-8-20(30)17-26-25(32)31-15-12-19(13-16-31)24-28-23(29-33-24)22-11-10-18-7-3-4-9-21(18)27-22/h3-4,7,9-11,19-20H,2,5-6,8,12-17H2,1H3,(H,26,32)
InChIKeyZJJBZMRNPYYBRV-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.05
Rot. Bonds5

About N-[(1-ethylpiperidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

N-[(1-ethylpiperidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 56661562) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID56661562
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC NameN-[(1-ethylpiperidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCCN1CCCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C25H32N6O2/c1-2-30-14-6-5-8-20(30)17-26-25(32)31-15-12-19(13-16-31)24-28-23(29-33-24)22-11-10-18-7-3-4-9-21(18)27-22/h3-4,7,9-11,19-20H,2,5-6,8,12-17H2,1H3,(H,26,32)
InChIKeyZJJBZMRNPYYBRV-UHFFFAOYSA-N
XLogP4.05
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(1-ethylpiperidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 56661562) is N-[(1-ethylpiperidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1-ethylpiperidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1-ethylpiperidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is CCN1CCCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is ZJJBZMRNPYYBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-2-30-14-6-5-8-20(30)17-26-25(32)31-15-12-19(13-16-31)24-28-23(29-33-24)22-11-10-18-7-3-4-9-21(18)27-22/h3-4,7,9-11,19-20H,2,5-6,8,12-17H2,1H3,(H,26,32).
What are the key properties of N-[(1-ethylpiperidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-[(1-ethylpiperidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 56661562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).