3-methyl-3-phenyl-N-(2-quinoxalin-6-ylethyl)piperidine-1-carboxamide

C23H26N4O — CID 42643591

IUPAC3-methyl-3-phenyl-N-(2-quinoxalin-6-ylethyl)piperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)NCCc2ccc3nccnc3c2)C1
InChIInChI=1S/C23H26N4O/c1-23(19-6-3-2-4-7-19)11-5-15-27(17-23)22(28)26-12-10-18-8-9-20-21(16-18)25-14-13-24-20/h2-4,6-9,13-14,16H,5,10-12,15,17H2,1H3,(H,26,28)
InChIKeyDFXLYUBDPQCNSA-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.94
Rot. Bonds4

About 3-methyl-3-phenyl-N-(2-quinoxalin-6-ylethyl)piperidine-1-carboxamide

3-methyl-3-phenyl-N-(2-quinoxalin-6-ylethyl)piperidine-1-carboxamide (PubChem CID 42643591) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-methyl-3-phenyl-N-(2-quinoxalin-6-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-3-phenyl-N-(2-quinoxalin-6-ylethyl)piperidine-1-carboxamide
PubChem CID42643591
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name3-methyl-3-phenyl-N-(2-quinoxalin-6-ylethyl)piperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)NCCc2ccc3nccnc3c2)C1
InChIInChI=1S/C23H26N4O/c1-23(19-6-3-2-4-7-19)11-5-15-27(17-23)22(28)26-12-10-18-8-9-20-21(16-18)25-14-13-24-20/h2-4,6-9,13-14,16H,5,10-12,15,17H2,1H3,(H,26,28)
InChIKeyDFXLYUBDPQCNSA-UHFFFAOYSA-N
XLogP3.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

PF-750
CID 25154868
1-Methyl-3-quinolin-8-ylurea
CID 250561
N-[4-(1-azepanyl)benzyl]-N'-(3-methyl-5-isoquinolinyl)urea
CID 9977590
3-{[4-(Dimethylamino)phenyl]methyl}-1-isoquinolin-5-ylurea
CID 10426159
1-{2-[1-(Aminomethyl)cyclohexyl]ethyl}-3-Isoquinolin-6-Ylurea
CID 77620540
1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea
CID 9819027
3-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 15646710
N-methyl-N'-[3-(2-quinoxalinyl)phenyl]thiourea
CID 1485416
1-Isoquinolin-5-yl-3-{[4-(piperidin-1-yl)phenyl]methyl}urea
CID 16749133
1-Isoquinolin-5-yl-3-{[4-(4-methylpiperidin-1-yl)phenyl]methyl}urea
CID 16749136
3-Isoquinolin-5-yl-1-{phenyl[4-(piperidin-1-yl)phenyl]methyl}urea
CID 24768199
N-[2-(4-Methylpiperazin-1-Yl)-5-(Quinolin-3-Yl)phenyl]-6-Oxo-4-(Trifluoromethyl)-1,6-Dihydropyridine-3-Carboxamide
CID 76871930

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyl-N-(2-quinoxalin-6-ylethyl)piperidine-1-carboxamide?
The IUPAC name of 3-methyl-3-phenyl-N-(2-quinoxalin-6-ylethyl)piperidine-1-carboxamide (CID 42643591) is 3-methyl-3-phenyl-N-(2-quinoxalin-6-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-3-phenyl-N-(2-quinoxalin-6-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-3-phenyl-N-(2-quinoxalin-6-ylethyl)piperidine-1-carboxamide is CC1(c2ccccc2)CCCN(C(=O)NCCc2ccc3nccnc3c2)C1.
What is the InChIKey of 3-methyl-3-phenyl-N-(2-quinoxalin-6-ylethyl)piperidine-1-carboxamide?
The InChIKey is DFXLYUBDPQCNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-23(19-6-3-2-4-7-19)11-5-15-27(17-23)22(28)26-12-10-18-8-9-20-21(16-18)25-14-13-24-20/h2-4,6-9,13-14,16H,5,10-12,15,17H2,1H3,(H,26,28).
What are the key properties of 3-methyl-3-phenyl-N-(2-quinoxalin-6-ylethyl)piperidine-1-carboxamide?
3-methyl-3-phenyl-N-(2-quinoxalin-6-ylethyl)piperidine-1-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyl-N-(2-quinoxalin-6-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 42643591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).