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

C25H32N6O2 — CID 56661561

IUPACN-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(C)N1CCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C25H32N6O2/c1-17(2)31-13-5-7-20(31)16-26-25(32)30-14-11-19(12-15-30)24-28-23(29-33-24)22-10-9-18-6-3-4-8-21(18)27-22/h3-4,6,8-10,17,19-20H,5,7,11-16H2,1-2H3,(H,26,32)
InChIKeyDRWUWKNCGVEWML-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.05
Rot. Bonds5

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

N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 56661561) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID56661561
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC NameN-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(C)N1CCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C25H32N6O2/c1-17(2)31-13-5-7-20(31)16-26-25(32)30-14-11-19(12-15-30)24-28-23(29-33-24)22-10-9-18-6-3-4-8-21(18)27-22/h3-4,6,8-10,17,19-20H,5,7,11-16H2,1-2H3,(H,26,32)
InChIKeyDRWUWKNCGVEWML-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-propan-2-ylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 56661561) is N-[(1-propan-2-ylpyrrolidin-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-propan-2-ylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is CC(C)N1CCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1.
What is the InChIKey of N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is DRWUWKNCGVEWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-17(2)31-13-5-7-20(31)16-26-25(32)30-14-11-19(12-15-30)24-28-23(29-33-24)22-10-9-18-6-3-4-8-21(18)27-22/h3-4,6,8-10,17,19-20H,5,7,11-16H2,1-2H3,(H,26,32).
What are the key properties of N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-[(1-propan-2-ylpyrrolidin-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-propan-2-ylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 56661561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).