1-pyrrolidin-1-yl-2-(1-quinoxalin-2-ylpiperidin-4-yl)ethanone

C19H24N4O — CID 56815426

IUPAC1-pyrrolidin-1-yl-2-(1-quinoxalin-2-ylpiperidin-4-yl)ethanone
SMILESO=C(CC1CCN(c2cnc3ccccc3n2)CC1)N1CCCC1
InChIInChI=1S/C19H24N4O/c24-19(23-9-3-4-10-23)13-15-7-11-22(12-8-15)18-14-20-16-5-1-2-6-17(16)21-18/h1-2,5-6,14-15H,3-4,7-13H2
InChIKeyJGHQVVVQNKCMPQ-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.86
Rot. Bonds3

About 1-pyrrolidin-1-yl-2-(1-quinoxalin-2-ylpiperidin-4-yl)ethanone

1-pyrrolidin-1-yl-2-(1-quinoxalin-2-ylpiperidin-4-yl)ethanone (PubChem CID 56815426) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-(1-quinoxalin-2-ylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-(1-quinoxalin-2-ylpiperidin-4-yl)ethanone
PubChem CID56815426
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-pyrrolidin-1-yl-2-(1-quinoxalin-2-ylpiperidin-4-yl)ethanone
SMILESO=C(CC1CCN(c2cnc3ccccc3n2)CC1)N1CCCC1
InChIInChI=1S/C19H24N4O/c24-19(23-9-3-4-10-23)13-15-7-11-22(12-8-15)18-14-20-16-5-1-2-6-17(16)21-18/h1-2,5-6,14-15H,3-4,7-13H2
InChIKeyJGHQVVVQNKCMPQ-UHFFFAOYSA-N
XLogP2.86
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-quinoxalin-2-ylazepane-4-carboxylic acid
CID 139695402
cyclobutyl-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone
CID 166603282
5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133291219
2-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 133400414
N,2,2-trimethyl-N-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]propanamide
CID 171702415
2-[3-(bromomethyl)pyrrolidin-1-yl]quinoxaline
CID 80679052
(2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid
CID 67136648
2-(4-propan-2-ylpiperidin-1-yl)quinoxaline
CID 59598901
N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide
CID 33378138
(3S)-N-cyclopropyl-1-(1-quinoxalin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 95550020
[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol
CID 33370711
2-(1-quinoxalin-2-ylpyrrolidin-3-yl)ethanamine
CID 114802420

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-(1-quinoxalin-2-ylpiperidin-4-yl)ethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-(1-quinoxalin-2-ylpiperidin-4-yl)ethanone (CID 56815426) is 1-pyrrolidin-1-yl-2-(1-quinoxalin-2-ylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-(1-quinoxalin-2-ylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-(1-quinoxalin-2-ylpiperidin-4-yl)ethanone is O=C(CC1CCN(c2cnc3ccccc3n2)CC1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-(1-quinoxalin-2-ylpiperidin-4-yl)ethanone?
The InChIKey is JGHQVVVQNKCMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c24-19(23-9-3-4-10-23)13-15-7-11-22(12-8-15)18-14-20-16-5-1-2-6-17(16)21-18/h1-2,5-6,14-15H,3-4,7-13H2.
What are the key properties of 1-pyrrolidin-1-yl-2-(1-quinoxalin-2-ylpiperidin-4-yl)ethanone?
1-pyrrolidin-1-yl-2-(1-quinoxalin-2-ylpiperidin-4-yl)ethanone has a molecular weight of 324.43 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-(1-quinoxalin-2-ylpiperidin-4-yl)ethanone is sourced from PubChem (CID 56815426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).