4-(3,5-dimethylphenyl)-N-[2-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide

C24H29N5O2 — CID 91601033

IUPAC4-(3,5-dimethylphenyl)-N-[2-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide
SMILESCOc1nc2ccccc2nc1CCNC(=O)N1CCN(c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C24H29N5O2/c1-17-14-18(2)16-19(15-17)28-10-12-29(13-11-28)24(30)25-9-8-22-23(31-3)27-21-7-5-4-6-20(21)26-22/h4-7,14-16H,8-13H2,1-3H3,(H,25,30)
InChIKeyQLMYDRRZMKYSHL-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.33
Rot. Bonds5

About 4-(3,5-dimethylphenyl)-N-[2-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide

4-(3,5-dimethylphenyl)-N-[2-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide (PubChem CID 91601033) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-N-[2-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-N-[2-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide
PubChem CID91601033
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name4-(3,5-dimethylphenyl)-N-[2-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide
SMILESCOc1nc2ccccc2nc1CCNC(=O)N1CCN(c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C24H29N5O2/c1-17-14-18(2)16-19(15-17)28-10-12-29(13-11-28)24(30)25-9-8-22-23(31-3)27-21-7-5-4-6-20(21)26-22/h4-7,14-16H,8-13H2,1-3H3,(H,25,30)
InChIKeyQLMYDRRZMKYSHL-UHFFFAOYSA-N
XLogP3.33
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethylphenyl)-N-[1-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide
CID 23446229
4-(3,5-dimethylphenyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108874
4-(3,5-dimethylphenyl)-N-[5-(2-hydroxypropan-2-yl)-2-methoxy-6-methyl-3-pyridinyl]piperazine-1-carboxamide
CID 19357004
4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113111740
N-[2-(1-benzofuran-2-yl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide
CID 126785553
1-(azepan-1-yl)-3-(3-methoxyquinoxalin-2-yl)propan-1-one
CID 163338550
N-(3-methoxy-6,7-dimethylquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 69244859
4-(3,5-dimethoxyphenyl)-N-(3-methoxy-6-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 69244400
4-(3,5-dimethylphenyl)-N-(2-hydroxy-1,2,4-benzotriazin-3-ylidene)piperazine-1-carboxamide
CID 70148422
N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 69244851
4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 53022727
4-(3,5-dimethylphenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 113111721

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-N-[2-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dimethylphenyl)-N-[2-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide (CID 91601033) is 4-(3,5-dimethylphenyl)-N-[2-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-N-[2-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dimethylphenyl)-N-[2-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide is COc1nc2ccccc2nc1CCNC(=O)N1CCN(c2cc(C)cc(C)c2)CC1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-N-[2-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is QLMYDRRZMKYSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-17-14-18(2)16-19(15-17)28-10-12-29(13-11-28)24(30)25-9-8-22-23(31-3)27-21-7-5-4-6-20(21)26-22/h4-7,14-16H,8-13H2,1-3H3,(H,25,30).
What are the key properties of 4-(3,5-dimethylphenyl)-N-[2-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide?
4-(3,5-dimethylphenyl)-N-[2-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-N-[2-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 91601033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).