N-(2-phenyl-2-piperidin-1-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C30H34N6O2 — CID 56664980

IUPACN-(2-phenyl-2-piperidin-1-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C30H34N6O2/c37-30(31-21-27(23-10-3-1-4-11-23)35-17-7-2-8-18-35)36-19-15-24(16-20-36)29-33-28(34-38-29)26-14-13-22-9-5-6-12-25(22)32-26/h1,3-6,9-14,24,27H,2,7-8,15-21H2,(H,31,37)
InChIKeyAWUSEWFIOJHHGJ-UHFFFAOYSA-N
MW510.64 g/mol
LogP5.40
Rot. Bonds6

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

N-(2-phenyl-2-piperidin-1-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 56664980) has the molecular formula C30H34N6O2 and a molecular weight of 510.64 g/mol. Its IUPAC name is N-(2-phenyl-2-piperidin-1-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenyl-2-piperidin-1-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID56664980
Molecular FormulaC30H34N6O2
Molecular Weight510.64 g/mol
Exact Mass510.27
IUPAC NameN-(2-phenyl-2-piperidin-1-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C30H34N6O2/c37-30(31-21-27(23-10-3-1-4-11-23)35-17-7-2-8-18-35)36-19-15-24(16-20-36)29-33-28(34-38-29)26-14-13-22-9-5-6-12-25(22)32-26/h1,3-6,9-14,24,27H,2,7-8,15-21H2,(H,31,37)
InChIKeyAWUSEWFIOJHHGJ-UHFFFAOYSA-N
XLogP5.40
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-2-piperidin-1-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-phenyl-2-piperidin-1-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 56664980) is N-(2-phenyl-2-piperidin-1-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-phenyl-2-piperidin-1-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-phenyl-2-piperidin-1-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is O=C(NCC(c1ccccc1)N1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1.
What is the InChIKey of N-(2-phenyl-2-piperidin-1-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is AWUSEWFIOJHHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O2/c37-30(31-21-27(23-10-3-1-4-11-23)35-17-7-2-8-18-35)36-19-15-24(16-20-36)29-33-28(34-38-29)26-14-13-22-9-5-6-12-25(22)32-26/h1,3-6,9-14,24,27H,2,7-8,15-21H2,(H,31,37).
What are the key properties of N-(2-phenyl-2-piperidin-1-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-(2-phenyl-2-piperidin-1-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 510.64 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-2-piperidin-1-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 56664980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).