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

C23H28N6O2 — CID 56675303

IUPACN-[(1-aminocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESNC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1
InChIInChI=1S/C23H28N6O2/c24-23(11-3-4-12-23)15-25-22(30)29-13-9-17(10-14-29)21-27-20(28-31-21)19-8-7-16-5-1-2-6-18(16)26-19/h1-2,5-8,17H,3-4,9-15,24H2,(H,25,30)
InChIKeyUQMPBYGFJHPHLR-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.45
Rot. Bonds4

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

N-[(1-aminocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 56675303) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-[(1-aminocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-aminocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID56675303
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC NameN-[(1-aminocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESNC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1
InChIInChI=1S/C23H28N6O2/c24-23(11-3-4-12-23)15-25-22(30)29-13-9-17(10-14-29)21-27-20(28-31-21)19-8-7-16-5-1-2-6-18(16)26-19/h1-2,5-8,17H,3-4,9-15,24H2,(H,25,30)
InChIKeyUQMPBYGFJHPHLR-UHFFFAOYSA-N
XLogP3.45
TPSA110.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(1-aminocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 56675303) is N-[(1-aminocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1-aminocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1-aminocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1.
What is the InChIKey of N-[(1-aminocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is UQMPBYGFJHPHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c24-23(11-3-4-12-23)15-25-22(30)29-13-9-17(10-14-29)21-27-20(28-31-21)19-8-7-16-5-1-2-6-18(16)26-19/h1-2,5-8,17H,3-4,9-15,24H2,(H,25,30).
What are the key properties of N-[(1-aminocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-[(1-aminocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 56675303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).