N-(3-methoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide

C26H32N4O3 — CID 30445985

IUPACN-(3-methoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(c2nc3ccccc3n(Cc3ccc(C)cc3)c2=O)CC1
InChIInChI=1S/C26H32N4O3/c1-19-8-10-20(11-9-19)18-30-23-7-4-3-6-22(23)28-24(26(30)32)29-15-12-21(13-16-29)25(31)27-14-5-17-33-2/h3-4,6-11,21H,5,12-18H2,1-2H3,(H,27,31)
InChIKeyANUMOCGUFVZFRI-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.12
Rot. Bonds8

About N-(3-methoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide

N-(3-methoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide (PubChem CID 30445985) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide
PubChem CID30445985
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-(3-methoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(c2nc3ccccc3n(Cc3ccc(C)cc3)c2=O)CC1
InChIInChI=1S/C26H32N4O3/c1-19-8-10-20(11-9-19)18-30-23-7-4-3-6-22(23)28-24(26(30)32)29-15-12-21(13-16-29)25(31)27-14-5-17-33-2/h3-4,6-11,21H,5,12-18H2,1-2H3,(H,27,31)
InChIKeyANUMOCGUFVZFRI-UHFFFAOYSA-N
XLogP3.12
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylphenyl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide
CID 53043840
N-(3-ethoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 53070354
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-propylpiperidine-4-carboxamide
CID 30444827
N-butyl-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 53070361
1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 53062578
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 53062473
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-ethylpiperidine-4-carboxamide
CID 53062468
(3S)-N-[2-(4-methylphenyl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 30457841
N-(3-ethoxypropyl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
CID 30444209
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 30445028
N-(3-methoxypropyl)-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 16675719
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 30444897

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide (CID 30445985) is N-(3-methoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide is COCCCNC(=O)C1CCN(c2nc3ccccc3n(Cc3ccc(C)cc3)c2=O)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide?
The InChIKey is ANUMOCGUFVZFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-19-8-10-20(11-9-19)18-30-23-7-4-3-6-22(23)28-24(26(30)32)29-15-12-21(13-16-29)25(31)27-14-5-17-33-2/h3-4,6-11,21H,5,12-18H2,1-2H3,(H,27,31).
What are the key properties of N-(3-methoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide?
N-(3-methoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 30445985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).