[(3R)-1-(3-methoxyquinoxalin-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

C25H29N5O2 — CID 94009698

IUPAC[(3R)-1-(3-methoxyquinoxalin-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C25H29N5O2/c1-32-24-23(26-21-11-5-6-12-22(21)27-24)30-13-7-8-19(18-30)25(31)29-16-14-28(15-17-29)20-9-3-2-4-10-20/h2-6,9-12,19H,7-8,13-18H2,1H3/t19-/m1/s1
InChIKeyCENMEEKQENJUAT-LJQANCHMSA-N
MW431.54 g/mol
LogP3.20
Rot. Bonds4

About [(3R)-1-(3-methoxyquinoxalin-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

[(3R)-1-(3-methoxyquinoxalin-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 94009698) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is [(3R)-1-(3-methoxyquinoxalin-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(3R)-1-(3-methoxyquinoxalin-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID94009698
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name[(3R)-1-(3-methoxyquinoxalin-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C25H29N5O2/c1-32-24-23(26-21-11-5-6-12-22(21)27-24)30-13-7-8-19(18-30)25(31)29-16-14-28(15-17-29)20-9-3-2-4-10-20/h2-6,9-12,19H,7-8,13-18H2,1H3/t19-/m1/s1
InChIKeyCENMEEKQENJUAT-LJQANCHMSA-N
XLogP3.20
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 94009730
1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide
CID 50752515
1-ethyl-3-[(3S)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one
CID 30451457
2,3-dihydroindol-1-yl-[1-(3-methoxyquinoxalin-2-yl)piperidin-3-yl]methanone
CID 50752682
[(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 93052335
[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92716106
1-ethyl-3-[(3R)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one
CID 30451443
N-cyclohexyl-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752597
(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 97177724
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methoxyquinoxalin-2-yl)piperidin-4-yl]methanone
CID 46367940
[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 96588049
1-ethyl-3-[(3R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one
CID 30451481

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(3-methoxyquinoxalin-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [(3R)-1-(3-methoxyquinoxalin-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 94009698) is [(3R)-1-(3-methoxyquinoxalin-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [(3R)-1-(3-methoxyquinoxalin-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [(3R)-1-(3-methoxyquinoxalin-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is COc1nc2ccccc2nc1N1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of [(3R)-1-(3-methoxyquinoxalin-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is CENMEEKQENJUAT-LJQANCHMSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-32-24-23(26-21-11-5-6-12-22(21)27-24)30-13-7-8-19(18-30)25(31)29-16-14-28(15-17-29)20-9-3-2-4-10-20/h2-6,9-12,19H,7-8,13-18H2,1H3/t19-/m1/s1.
What are the key properties of [(3R)-1-(3-methoxyquinoxalin-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[(3R)-1-(3-methoxyquinoxalin-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 431.54 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(3-methoxyquinoxalin-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 94009698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).