N-[(3,5-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide

C21H30N4O3 — CID 53181525

IUPACN-[(3,5-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide
SMILESCOc1cc(CNC(=O)c2nc(C)n(C3CCN(C)CC3)c2C)cc(OC)c1
InChIInChI=1S/C21H30N4O3/c1-14-20(23-15(2)25(14)17-6-8-24(3)9-7-17)21(26)22-13-16-10-18(27-4)12-19(11-16)28-5/h10-12,17H,6-9,13H2,1-5H3,(H,22,26)
InChIKeyCCDUIWVVJKCTPW-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.71
Rot. Bonds6

About N-[(3,5-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide

N-[(3,5-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide (PubChem CID 53181525) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide
PubChem CID53181525
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide
SMILESCOc1cc(CNC(=O)c2nc(C)n(C3CCN(C)CC3)c2C)cc(OC)c1
InChIInChI=1S/C21H30N4O3/c1-14-20(23-15(2)25(14)17-6-8-24(3)9-7-17)21(26)22-13-16-10-18(27-4)12-19(11-16)28-5/h10-12,17H,6-9,13H2,1-5H3,(H,22,26)
InChIKeyCCDUIWVVJKCTPW-UHFFFAOYSA-N
XLogP2.71
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide
CID 53181549
1-(1-acetylpiperidin-4-yl)-N-[(4-chlorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide
CID 53181622
1-(1-acetylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide
CID 53181624
N-[(3,5-dimethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 45171198
1-[(3-hydroxy-5-methoxyphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 143176546
N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796
(3,5-dimethoxyphenyl)methylcarbamic acid
CID 67370524
3-[(3,5-dimethoxyphenyl)methylcarbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19579262
N'-[(4-methoxyphenyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886512
N-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110672503
N-[(3,5-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46586668
N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46590373

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide (CID 53181525) is N-[(3,5-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide is COc1cc(CNC(=O)c2nc(C)n(C3CCN(C)CC3)c2C)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide?
The InChIKey is CCDUIWVVJKCTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-14-20(23-15(2)25(14)17-6-8-24(3)9-7-17)21(26)22-13-16-10-18(27-4)12-19(11-16)28-5/h10-12,17H,6-9,13H2,1-5H3,(H,22,26).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide?
N-[(3,5-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide is sourced from PubChem (CID 53181525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).