N-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide

C20H23ClN6O — CID 172881971

IUPACN-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
SMILESCN(CC1CCN(c2cnc3cc(Cl)ccc3n2)CC1)C(=O)c1cn(C)cn1
InChIInChI=1S/C20H23ClN6O/c1-25-12-18(23-13-25)20(28)26(2)11-14-5-7-27(8-6-14)19-10-22-17-9-15(21)3-4-16(17)24-19/h3-4,9-10,12-14H,5-8,11H2,1-2H3
InChIKeyCZOAHPNIYCBPCY-UHFFFAOYSA-N
MW398.90 g/mol
LogP3.01
Rot. Bonds4

About N-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide

N-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide (PubChem CID 172881971) has the molecular formula C20H23ClN6O and a molecular weight of 398.90 g/mol. Its IUPAC name is N-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
PubChem CID172881971
Molecular FormulaC20H23ClN6O
Molecular Weight398.90 g/mol
Exact Mass398.16
IUPAC NameN-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
SMILESCN(CC1CCN(c2cnc3cc(Cl)ccc3n2)CC1)C(=O)c1cn(C)cn1
InChIInChI=1S/C20H23ClN6O/c1-25-12-18(23-13-25)20(28)26(2)11-14-5-7-27(8-6-14)19-10-22-17-9-15(21)3-4-16(17)24-19/h3-4,9-10,12-14H,5-8,11H2,1-2H3
InChIKeyCZOAHPNIYCBPCY-UHFFFAOYSA-N
XLogP3.01
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.90
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-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

N-[[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881954
N-[[1-(3-chloro-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881066
N-[[1-(3-chloro-2-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881063
N,1-dimethyl-N-[[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172901096
N,1-dimethyl-N-[[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172881133
N-[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175651005
N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881174
N,1-dimethyl-N-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172881167
N,1-dimethyl-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172881011
N-[[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172904251
N-[[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881312
N,1-dimethyl-N-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172881912

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide?
The IUPAC name of N-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide (CID 172881971) is N-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide.
What is the SMILES notation for N-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide?
The canonical SMILES for N-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide is CN(CC1CCN(c2cnc3cc(Cl)ccc3n2)CC1)C(=O)c1cn(C)cn1.
What is the InChIKey of N-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide?
The InChIKey is CZOAHPNIYCBPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O/c1-25-12-18(23-13-25)20(28)26(2)11-14-5-7-27(8-6-14)19-10-22-17-9-15(21)3-4-16(17)24-19/h3-4,9-10,12-14H,5-8,11H2,1-2H3.
What are the key properties of N-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide?
N-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide has a molecular weight of 398.90 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 172881971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).