(3R)-1-(3-methoxyquinoxalin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide

C25H24N4O2 — CID 93072981

IUPAC(3R)-1-(3-methoxyquinoxalin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
SMILESCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C25H24N4O2/c1-31-25-23(26-21-12-4-5-13-22(21)28-25)29-15-7-10-18(16-29)24(30)27-20-14-6-9-17-8-2-3-11-19(17)20/h2-6,8-9,11-14,18H,7,10,15-16H2,1H3,(H,27,30)/t18-/m1/s1
InChIKeyWRPQOLTUGJSVNX-GOSISDBHSA-N
MW412.49 g/mol
LogP4.65
Rot. Bonds4

About (3R)-1-(3-methoxyquinoxalin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide

(3R)-1-(3-methoxyquinoxalin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide (PubChem CID 93072981) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is (3R)-1-(3-methoxyquinoxalin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-methoxyquinoxalin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
PubChem CID93072981
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name(3R)-1-(3-methoxyquinoxalin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
SMILESCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C25H24N4O2/c1-31-25-23(26-21-12-4-5-13-22(21)28-25)29-15-7-10-18(16-29)24(30)27-20-14-6-9-17-8-2-3-11-19(17)20/h2-6,8-9,11-14,18H,7,10,15-16H2,1H3,(H,27,30)/t18-/m1/s1
InChIKeyWRPQOLTUGJSVNX-GOSISDBHSA-N
XLogP4.65
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752620
(3S)-N-(2-ethoxyphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047687
1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide
CID 50752515
(3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 95116089
(3R)-N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047699
N-(4-ethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752640
N-(4-chloro-2-methylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752576
(3R)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047690
(3R)-N-[4-(4-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047724
N-(2,3-dichlorophenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752495
N-cyclohexyl-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752597
N-(2-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752918

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-methoxyquinoxalin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-methoxyquinoxalin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide (CID 93072981) is (3R)-1-(3-methoxyquinoxalin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-methoxyquinoxalin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-methoxyquinoxalin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide is COc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2cccc3ccccc23)C1.
What is the InChIKey of (3R)-1-(3-methoxyquinoxalin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide?
The InChIKey is WRPQOLTUGJSVNX-GOSISDBHSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-31-25-23(26-21-12-4-5-13-22(21)28-25)29-15-7-10-18(16-29)24(30)27-20-14-6-9-17-8-2-3-11-19(17)20/h2-6,8-9,11-14,18H,7,10,15-16H2,1H3,(H,27,30)/t18-/m1/s1.
What are the key properties of (3R)-1-(3-methoxyquinoxalin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide?
(3R)-1-(3-methoxyquinoxalin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-methoxyquinoxalin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide is sourced from PubChem (CID 93072981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).