N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C25H27N5O3 — CID 166185792

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(=O)N1CCC(NC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)c2ccccc21
InChIInChI=1S/C25H27N5O3/c1-17(31)30-16-13-21(20-9-5-6-10-22(20)30)26-25(32)29-14-11-19(12-15-29)24-27-23(28-33-24)18-7-3-2-4-8-18/h2-10,19,21H,11-16H2,1H3,(H,26,32)
InChIKeySWAJCRWWXZCXNX-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.12
Rot. Bonds3

About N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 166185792) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID166185792
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(=O)N1CCC(NC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)c2ccccc21
InChIInChI=1S/C25H27N5O3/c1-17(31)30-16-13-21(20-9-5-6-10-22(20)30)26-25(32)29-14-11-19(12-15-29)24-27-23(28-33-24)18-7-3-2-4-8-18/h2-10,19,21H,11-16H2,1H3,(H,26,32)
InChIKeySWAJCRWWXZCXNX-UHFFFAOYSA-N
XLogP4.12
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 166185792) is N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is CC(=O)N1CCC(NC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)c2ccccc21.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is SWAJCRWWXZCXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-17(31)30-16-13-21(20-9-5-6-10-22(20)30)26-25(32)29-14-11-19(12-15-29)24-27-23(28-33-24)18-7-3-2-4-8-18/h2-10,19,21H,11-16H2,1H3,(H,26,32).
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 166185792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).