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

C28H36N6O3 — CID 56661679

IUPACN-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C28H36N6O3/c35-27(29-20-28(12-4-1-5-13-28)34-16-18-36-19-17-34)33-14-10-22(11-15-33)26-31-25(32-37-26)24-9-8-21-6-2-3-7-23(21)30-24/h2-3,6-9,22H,1,4-5,10-20H2,(H,29,35)
InChIKeyKBMUERZJSPYVEJ-UHFFFAOYSA-N
MW504.64 g/mol
LogP4.21
Rot. Bonds5

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

N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 56661679) has the molecular formula C28H36N6O3 and a molecular weight of 504.64 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID56661679
Molecular FormulaC28H36N6O3
Molecular Weight504.64 g/mol
Exact Mass504.28
IUPAC NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C28H36N6O3/c35-27(29-20-28(12-4-1-5-13-28)34-16-18-36-19-17-34)33-14-10-22(11-15-33)26-31-25(32-37-26)24-9-8-21-6-2-3-7-23(21)30-24/h2-3,6-9,22H,1,4-5,10-20H2,(H,29,35)
InChIKeyKBMUERZJSPYVEJ-UHFFFAOYSA-N
XLogP4.21
TPSA96.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.64
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 56661679) is N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is O=C(NCC1(N2CCOCC2)CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1.
What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is KBMUERZJSPYVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O3/c35-27(29-20-28(12-4-1-5-13-28)34-16-18-36-19-17-34)33-14-10-22(11-15-33)26-31-25(32-37-26)24-9-8-21-6-2-3-7-23(21)30-24/h2-3,6-9,22H,1,4-5,10-20H2,(H,29,35).
What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 504.64 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 56661679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).