N-(4-carbamoylphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide

C23H25N5O3 — CID 46367975

IUPACN-(4-carbamoylphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide
SMILESCCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C23H25N5O3/c1-2-31-23-21(26-18-5-3-4-6-19(18)27-23)28-13-11-16(12-14-28)22(30)25-17-9-7-15(8-10-17)20(24)29/h3-10,16H,2,11-14H2,1H3,(H2,24,29)(H,25,30)
InChIKeyBRFITNDHSGJYKX-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.98
Rot. Bonds6

About N-(4-carbamoylphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide

N-(4-carbamoylphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide (PubChem CID 46367975) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide
PubChem CID46367975
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-(4-carbamoylphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide
SMILESCCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C23H25N5O3/c1-2-31-23-21(26-18-5-3-4-6-19(18)27-23)28-13-11-16(12-14-28)22(30)25-17-9-7-15(8-10-17)20(24)29/h3-10,16H,2,11-14H2,1H3,(H2,24,29)(H,25,30)
InChIKeyBRFITNDHSGJYKX-UHFFFAOYSA-N
XLogP2.98
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide
CID 46367968
1-(3-ethoxyquinoxalin-2-yl)-N-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide
CID 46367981
N-(2-fluorophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-4-carboxamide
CID 46367999
N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752841
(3S)-N-(4-chlorophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009829
ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 171678844
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009742
1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide
CID 50752515
N-(4-ethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752640
(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 97177724
methyl 4-[(4-carbamoylphenyl)carbamoyl]piperidine-1-carboxylate
CID 110754209
N-cyclohexyl-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752811

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide (CID 46367975) is N-(4-carbamoylphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide is CCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of N-(4-carbamoylphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide?
The InChIKey is BRFITNDHSGJYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-2-31-23-21(26-18-5-3-4-6-19(18)27-23)28-13-11-16(12-14-28)22(30)25-17-9-7-15(8-10-17)20(24)29/h3-10,16H,2,11-14H2,1H3,(H2,24,29)(H,25,30).
What are the key properties of N-(4-carbamoylphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide?
N-(4-carbamoylphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46367975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).