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

C22H25N5O3 — CID 56679239

IUPACN-(oxan-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C22H25N5O3/c28-22(23-17-9-13-29-14-10-17)27-11-7-16(8-12-27)21-25-20(26-30-21)19-6-5-15-3-1-2-4-18(15)24-19/h1-6,16-17H,7-14H2,(H,23,28)
InChIKeyLJXKYUNRCAMCHN-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.35
Rot. Bonds3

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

N-(oxan-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 56679239) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(oxan-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID56679239
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-(oxan-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C22H25N5O3/c28-22(23-17-9-13-29-14-10-17)27-11-7-16(8-12-27)21-25-20(26-30-21)19-6-5-15-3-1-2-4-18(15)24-19/h1-6,16-17H,7-14H2,(H,23,28)
InChIKeyLJXKYUNRCAMCHN-UHFFFAOYSA-N
XLogP3.35
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(oxan-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 56679239) is N-(oxan-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is O=C(NC1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1.
What is the InChIKey of N-(oxan-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is LJXKYUNRCAMCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c28-22(23-17-9-13-29-14-10-17)27-11-7-16(8-12-27)21-25-20(26-30-21)19-6-5-15-3-1-2-4-18(15)24-19/h1-6,16-17H,7-14H2,(H,23,28).
What are the key properties of N-(oxan-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-(oxan-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 56679239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).