[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methoxyquinoxalin-2-yl)piperidin-4-yl]methanone

C26H31N5O3 — CID 46367940

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methoxyquinoxalin-2-yl)piperidin-4-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)C2CCN(c3nc4ccccc4nc3OC)CC2)CC1
InChIInChI=1S/C26H31N5O3/c1-33-23-10-6-5-9-22(23)29-15-17-31(18-16-29)26(32)19-11-13-30(14-12-19)24-25(34-2)28-21-8-4-3-7-20(21)27-24/h3-10,19H,11-18H2,1-2H3
InChIKeyYWCMQEYBJCEXHN-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.21
Rot. Bonds5

About [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methoxyquinoxalin-2-yl)piperidin-4-yl]methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methoxyquinoxalin-2-yl)piperidin-4-yl]methanone (PubChem CID 46367940) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methoxyquinoxalin-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methoxyquinoxalin-2-yl)piperidin-4-yl]methanone
PubChem CID46367940
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methoxyquinoxalin-2-yl)piperidin-4-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)C2CCN(c3nc4ccccc4nc3OC)CC2)CC1
InChIInChI=1S/C26H31N5O3/c1-33-23-10-6-5-9-22(23)29-15-17-31(18-16-29)26(32)19-11-13-30(14-12-19)24-25(34-2)28-21-8-4-3-7-20(21)27-24/h3-10,19H,11-18H2,1-2H3
InChIKeyYWCMQEYBJCEXHN-UHFFFAOYSA-N
XLogP3.21
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methoxyquinoxalin-2-yl)piperidin-4-yl]methanone with MolForge

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Related Compounds

cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-phenoxypyrazin-2-yl)piperidin-4-yl]methanone
CID 50834755
tert-butyl 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 9034002
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 56922329
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-pyrido[2,3-b]pyrazin-7-ylpiperidin-4-yl)methanone
CID 71839299
[(3R)-1-(3-methoxyquinoxalin-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 94009698
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 30361151
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanone
CID 43920568
[4-(2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119826511
5-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione
CID 46324194
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
CID 90600269
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
CID 26534447

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methoxyquinoxalin-2-yl)piperidin-4-yl]methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methoxyquinoxalin-2-yl)piperidin-4-yl]methanone (CID 46367940) is [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methoxyquinoxalin-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methoxyquinoxalin-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methoxyquinoxalin-2-yl)piperidin-4-yl]methanone is COc1ccccc1N1CCN(C(=O)C2CCN(c3nc4ccccc4nc3OC)CC2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methoxyquinoxalin-2-yl)piperidin-4-yl]methanone?
The InChIKey is YWCMQEYBJCEXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-33-23-10-6-5-9-22(23)29-15-17-31(18-16-29)26(32)19-11-13-30(14-12-19)24-25(34-2)28-21-8-4-3-7-20(21)27-24/h3-10,19H,11-18H2,1-2H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methoxyquinoxalin-2-yl)piperidin-4-yl]methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methoxyquinoxalin-2-yl)piperidin-4-yl]methanone has a molecular weight of 461.57 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methoxyquinoxalin-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 46367940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).