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

C25H25N5O3 — CID 56682551

IUPACN-(2-methoxyphenyl)-N-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCOc1ccccc1N(C)C(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C25H25N5O3/c1-29(21-9-5-6-10-22(21)32-2)25(31)30-15-13-18(14-16-30)24-27-23(28-33-24)20-12-11-17-7-3-4-8-19(17)26-20/h3-12,18H,13-16H2,1-2H3
InChIKeyLOTXNVVOUIFCHR-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.73
Rot. Bonds4

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

N-(2-methoxyphenyl)-N-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 56682551) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID56682551
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC NameN-(2-methoxyphenyl)-N-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCOc1ccccc1N(C)C(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C25H25N5O3/c1-29(21-9-5-6-10-22(21)32-2)25(31)30-15-13-18(14-16-30)24-27-23(28-33-24)20-12-11-17-7-3-4-8-19(17)26-20/h3-12,18H,13-16H2,1-2H3
InChIKeyLOTXNVVOUIFCHR-UHFFFAOYSA-N
XLogP4.73
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-N-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 56682551) is N-(2-methoxyphenyl)-N-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is COc1ccccc1N(C)C(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-N-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is LOTXNVVOUIFCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-29(21-9-5-6-10-22(21)32-2)25(31)30-15-13-18(14-16-30)24-27-23(28-33-24)20-12-11-17-7-3-4-8-19(17)26-20/h3-12,18H,13-16H2,1-2H3.
What are the key properties of N-(2-methoxyphenyl)-N-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-(2-methoxyphenyl)-N-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 56682551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).