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

C27H34N4O3 — CID 53070354

IUPACN-(3-ethoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
SMILESCCOCCCNC(=O)C1CCCN(c2nc3ccccc3n(Cc3ccc(C)cc3)c2=O)C1
InChIInChI=1S/C27H34N4O3/c1-3-34-17-7-15-28-26(32)22-8-6-16-30(19-22)25-27(33)31(18-21-13-11-20(2)12-14-21)24-10-5-4-9-23(24)29-25/h4-5,9-14,22H,3,6-8,15-19H2,1-2H3,(H,28,32)
InChIKeyQKBIWJIFRVAECF-UHFFFAOYSA-N
MW462.59 g/mol
LogP3.51
Rot. Bonds9

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

N-(3-ethoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide (PubChem CID 53070354) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
PubChem CID53070354
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC NameN-(3-ethoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
SMILESCCOCCCNC(=O)C1CCCN(c2nc3ccccc3n(Cc3ccc(C)cc3)c2=O)C1
InChIInChI=1S/C27H34N4O3/c1-3-34-17-7-15-28-26(32)22-8-6-16-30(19-22)25-27(33)31(18-21-13-11-20(2)12-14-21)24-10-5-4-9-23(24)29-25/h4-5,9-14,22H,3,6-8,15-19H2,1-2H3,(H,28,32)
InChIKeyQKBIWJIFRVAECF-UHFFFAOYSA-N
XLogP3.51
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 53.51
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-butyl-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 53070361
(3S)-N-[2-(4-methylphenyl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 30457841
N-[(4-ethylphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 53070369
N-(3-methoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide
CID 30445985
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 53070178
(3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 129424334
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 30457551
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[3-(diethylamino)propyl]piperidine-3-carboxamide
CID 53070172
(3S)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 95059143
1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 53198927
1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 50781590
(3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 129427303

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide (CID 53070354) is N-(3-ethoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide is CCOCCCNC(=O)C1CCCN(c2nc3ccccc3n(Cc3ccc(C)cc3)c2=O)C1.
What is the InChIKey of N-(3-ethoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide?
The InChIKey is QKBIWJIFRVAECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-3-34-17-7-15-28-26(32)22-8-6-16-30(19-22)25-27(33)31(18-21-13-11-20(2)12-14-21)24-10-5-4-9-23(24)29-25/h4-5,9-14,22H,3,6-8,15-19H2,1-2H3,(H,28,32).
What are the key properties of N-(3-ethoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide?
N-(3-ethoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide has a molecular weight of 462.59 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 53070354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).