N-(1-acetylpiperidin-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C24H28N6O3 — CID 56672547

IUPACN-(1-acetylpiperidin-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(=O)N1CCC(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CC1
InChIInChI=1S/C24H28N6O3/c1-16(31)29-14-10-19(11-15-29)25-24(32)30-12-8-18(9-13-30)23-27-22(28-33-23)21-7-6-17-4-2-3-5-20(17)26-21/h2-7,18-19H,8-15H2,1H3,(H,25,32)
InChIKeyRPVKKSGGRLMPCY-UHFFFAOYSA-N
MW448.53 g/mol
LogP3.18
Rot. Bonds3

About N-(1-acetylpiperidin-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

N-(1-acetylpiperidin-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 56672547) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID56672547
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC NameN-(1-acetylpiperidin-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(=O)N1CCC(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CC1
InChIInChI=1S/C24H28N6O3/c1-16(31)29-14-10-19(11-15-29)25-24(32)30-12-8-18(9-13-30)23-27-22(28-33-23)21-7-6-17-4-2-3-5-20(17)26-21/h2-7,18-19H,8-15H2,1H3,(H,25,32)
InChIKeyRPVKKSGGRLMPCY-UHFFFAOYSA-N
XLogP3.18
TPSA104.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 56672547) is N-(1-acetylpiperidin-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is CC(=O)N1CCC(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is RPVKKSGGRLMPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-16(31)29-14-10-19(11-15-29)25-24(32)30-12-8-18(9-13-30)23-27-22(28-33-23)21-7-6-17-4-2-3-5-20(17)26-21/h2-7,18-19H,8-15H2,1H3,(H,25,32).
What are the key properties of N-(1-acetylpiperidin-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-(1-acetylpiperidin-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 56672547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).