1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one

C22H30N4O2 — CID 91951447

IUPAC1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one
SMILESCC1CCN(C(=O)CCn2c(=O)c(N3CCCCC3)nc3ccccc32)CC1
InChIInChI=1S/C22H30N4O2/c1-17-9-14-24(15-10-17)20(27)11-16-26-19-8-4-3-7-18(19)23-21(22(26)28)25-12-5-2-6-13-25/h3-4,7-8,17H,2,5-6,9-16H2,1H3
InChIKeyXBSUFEPGKHRNNX-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.04
Rot. Bonds4

About 1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one

1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one (PubChem CID 91951447) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one.

Molecular Properties

Compound Name1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one
PubChem CID91951447
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one
SMILESCC1CCN(C(=O)CCn2c(=O)c(N3CCCCC3)nc3ccccc32)CC1
InChIInChI=1S/C22H30N4O2/c1-17-9-14-24(15-10-17)20(27)11-16-26-19-8-4-3-7-18(19)23-21(22(26)28)25-12-5-2-6-13-25/h3-4,7-8,17H,2,5-6,9-16H2,1H3
InChIKeyXBSUFEPGKHRNNX-UHFFFAOYSA-N
XLogP3.04
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one with MolForge

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Related Compounds

1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one
CID 91951434
3-methyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinolin-2-one
CID 110680227
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131479
N-(2-methoxyethyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951418
N-(3-ethoxypropyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951424
N-(2-methyl-3-pyridinyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951489
3-methyl-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-one
CID 46324411
3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 91951480
N-cyclohexyl-3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)propanamide
CID 91951544
3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 91951168
3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1H-pyrazol-5-yl)propanamide
CID 91951482
3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 91951375

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one?
The IUPAC name of 1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one (CID 91951447) is 1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one.
What is the SMILES notation for 1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one?
The canonical SMILES for 1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one is CC1CCN(C(=O)CCn2c(=O)c(N3CCCCC3)nc3ccccc32)CC1.
What is the InChIKey of 1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one?
The InChIKey is XBSUFEPGKHRNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-17-9-14-24(15-10-17)20(27)11-16-26-19-8-4-3-7-18(19)23-21(22(26)28)25-12-5-2-6-13-25/h3-4,7-8,17H,2,5-6,9-16H2,1H3.
What are the key properties of 1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one?
1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one has a molecular weight of 382.51 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one is sourced from PubChem (CID 91951447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).