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

C21H29N5O2 — CID 91951434

IUPAC1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one
SMILESCN1CCN(C(=O)CCn2c(=O)c(N3CCCCC3)nc3ccccc32)CC1
InChIInChI=1S/C21H29N5O2/c1-23-13-15-24(16-14-23)19(27)9-12-26-18-8-4-3-7-17(18)22-20(21(26)28)25-10-5-2-6-11-25/h3-4,7-8H,2,5-6,9-16H2,1H3
InChIKeyCIFQOSMYIBINBX-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.55
Rot. Bonds4

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

1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one (PubChem CID 91951434) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one.

Molecular Properties

Compound Name1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one
PubChem CID91951434
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one
SMILESCN1CCN(C(=O)CCn2c(=O)c(N3CCCCC3)nc3ccccc32)CC1
InChIInChI=1S/C21H29N5O2/c1-23-13-15-24(16-14-23)19(27)9-12-26-18-8-4-3-7-17(18)22-20(21(26)28)25-10-5-2-6-11-25/h3-4,7-8H,2,5-6,9-16H2,1H3
InChIKeyCIFQOSMYIBINBX-UHFFFAOYSA-N
XLogP1.55
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one
CID 91951447
N-(2-methoxyethyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951418
3-methyl-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-one
CID 46324411
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-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 91951223
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131479
3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 91951480
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
1-benzyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-one
CID 67481732

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one?
The IUPAC name of 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one (CID 91951434) is 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one.
What is the SMILES notation for 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one?
The canonical SMILES for 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one is CN1CCN(C(=O)CCn2c(=O)c(N3CCCCC3)nc3ccccc32)CC1.
What is the InChIKey of 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one?
The InChIKey is CIFQOSMYIBINBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-23-13-15-24(16-14-23)19(27)9-12-26-18-8-4-3-7-17(18)22-20(21(26)28)25-10-5-2-6-11-25/h3-4,7-8H,2,5-6,9-16H2,1H3.
What are the key properties of 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one?
1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one has a molecular weight of 383.50 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one is sourced from PubChem (CID 91951434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).