1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-piperidin-3-ylbutan-1-one

C18H27N3O — CID 119859394

IUPAC1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-piperidin-3-ylbutan-1-one
SMILESCC(CC(=O)N1CCN(C)c2ccccc21)C1CCCNC1
InChIInChI=1S/C18H27N3O/c1-14(15-6-5-9-19-13-15)12-18(22)21-11-10-20(2)16-7-3-4-8-17(16)21/h3-4,7-8,14-15,19H,5-6,9-13H2,1-2H3
InChIKeyMEACFLHTWPCURR-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.50
Rot. Bonds3

About 1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-piperidin-3-ylbutan-1-one

1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-piperidin-3-ylbutan-1-one (PubChem CID 119859394) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-piperidin-3-ylbutan-1-one.

Molecular Properties

Compound Name1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-piperidin-3-ylbutan-1-one
PubChem CID119859394
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-piperidin-3-ylbutan-1-one
SMILESCC(CC(=O)N1CCN(C)c2ccccc21)C1CCCNC1
InChIInChI=1S/C18H27N3O/c1-14(15-6-5-9-19-13-15)12-18(22)21-11-10-20(2)16-7-3-4-8-17(16)21/h3-4,7-8,14-15,19H,5-6,9-13H2,1-2H3
InChIKeyMEACFLHTWPCURR-UHFFFAOYSA-N
XLogP2.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-nitro-2,3-dihydroindol-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119788501
1-(4-benzylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119671894
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119828393
1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119754539
1-(4-benzylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119671893
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119828392
3-phenyl-4-(3-piperidin-3-ylbutanoyl)piperazin-2-one
CID 119760181
1-(6-nitro-2,3-dihydroindol-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119699455
1-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-3-piperidin-4-ylbutan-1-one
CID 119738115
1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119832584
1-(4-benzyl-1,4-diazepan-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119399409
N-[2,6-di(propan-2-yl)phenyl]-3-piperidin-3-ylbutanamide
CID 119671508

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-piperidin-3-ylbutan-1-one?
The IUPAC name of 1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-piperidin-3-ylbutan-1-one (CID 119859394) is 1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-piperidin-3-ylbutan-1-one.
What is the SMILES notation for 1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-piperidin-3-ylbutan-1-one?
The canonical SMILES for 1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-piperidin-3-ylbutan-1-one is CC(CC(=O)N1CCN(C)c2ccccc21)C1CCCNC1.
What is the InChIKey of 1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-piperidin-3-ylbutan-1-one?
The InChIKey is MEACFLHTWPCURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14(15-6-5-9-19-13-15)12-18(22)21-11-10-20(2)16-7-3-4-8-17(16)21/h3-4,7-8,14-15,19H,5-6,9-13H2,1-2H3.
What are the key properties of 1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-piperidin-3-ylbutan-1-one?
1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-piperidin-3-ylbutan-1-one has a molecular weight of 301.43 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-piperidin-3-ylbutan-1-one is sourced from PubChem (CID 119859394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).