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

C24H29N5O2 — CID 23446229

IUPAC4-(3,5-dimethylphenyl)-N-[1-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide
SMILESCOc1nc2ccccc2nc1C(C)NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C24H29N5O2/c1-16-13-17(2)15-19(14-16)28-9-11-29(12-10-28)24(30)25-18(3)22-23(31-4)27-21-8-6-5-7-20(21)26-22/h5-8,13-15,18H,9-12H2,1-4H3,(H,25,30)
InChIKeyBDARVUWRYREOGV-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.85
Rot. Bonds4

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

4-(3,5-dimethylphenyl)-N-[1-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide (PubChem CID 23446229) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-N-[1-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-N-[1-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide
PubChem CID23446229
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name4-(3,5-dimethylphenyl)-N-[1-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide
SMILESCOc1nc2ccccc2nc1C(C)NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C24H29N5O2/c1-16-13-17(2)15-19(14-16)28-9-11-29(12-10-28)24(30)25-18(3)22-23(31-4)27-21-8-6-5-7-20(21)26-22/h5-8,13-15,18H,9-12H2,1-4H3,(H,25,30)
InChIKeyBDARVUWRYREOGV-UHFFFAOYSA-N
XLogP3.85
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,5-dimethylphenyl)-N-[2-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide
CID 91601033
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-phenylpiperazine-1-carboxamide
CID 51291225
4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 108988796
4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113111740
4-(3,5-dimethoxyphenyl)-N-(3-methoxyquinoxalin-2-yl)-N-methylpiperazine-1-carboxamide
CID 54154885
4-(3,5-dimethoxyphenyl)-N-(3-methoxy-6-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 69244400
N-(3-methoxy-6,7-dimethylquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 69244859
4-(3,5-dimethylphenyl)-N-(2-hydroxy-1,2,4-benzotriazin-3-ylidene)piperazine-1-carboxamide
CID 70148422
4-(3-chlorophenyl)-N-(3-methoxy-7-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 66918074
N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 69244851
N-[1-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 18663123
N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 138539557

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-N-[1-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dimethylphenyl)-N-[1-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide (CID 23446229) is 4-(3,5-dimethylphenyl)-N-[1-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-N-[1-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dimethylphenyl)-N-[1-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide is COc1nc2ccccc2nc1C(C)NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-N-[1-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is BDARVUWRYREOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-16-13-17(2)15-19(14-16)28-9-11-29(12-10-28)24(30)25-18(3)22-23(31-4)27-21-8-6-5-7-20(21)26-22/h5-8,13-15,18H,9-12H2,1-4H3,(H,25,30).
What are the key properties of 4-(3,5-dimethylphenyl)-N-[1-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide?
4-(3,5-dimethylphenyl)-N-[1-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.85, 4 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-[1-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 23446229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).