N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide

C24H28N4O5 — CID 55457251

IUPACN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(NC(=O)C2CCN(C(=O)c3ccco3)CC2)c2nccn2C)c1
InChIInChI=1S/C24H28N4O5/c1-27-11-8-25-22(27)21(17-13-18(31-2)15-19(14-17)32-3)26-23(29)16-6-9-28(10-7-16)24(30)20-5-4-12-33-20/h4-5,8,11-16,21H,6-7,9-10H2,1-3H3,(H,26,29)
InChIKeyXLYOBAGXOWUQPD-UHFFFAOYSA-N
MW452.51 g/mol
LogP2.79
Rot. Bonds7

About N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide (PubChem CID 55457251) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
PubChem CID55457251
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC NameN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(NC(=O)C2CCN(C(=O)c3ccco3)CC2)c2nccn2C)c1
InChIInChI=1S/C24H28N4O5/c1-27-11-8-25-22(27)21(17-13-18(31-2)15-19(14-17)32-3)26-23(29)16-6-9-28(10-7-16)24(30)20-5-4-12-33-20/h4-5,8,11-16,21H,6-7,9-10H2,1-3H3,(H,26,29)
InChIKeyXLYOBAGXOWUQPD-UHFFFAOYSA-N
XLogP2.79
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 51269183
N-[3-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 18151120
1-(4-chlorobenzoyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 55457855
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 46528505
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
1-ethylsulfonyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 17496386
1-(4-fluorophenyl)sulfonyl-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 25358350
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylcyclopropane-1-carboxamide
CID 51269204
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 47015011
1-(furan-2-carbonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 41089696
2-(4-chlorophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 18103829
2-(4-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 55457678

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide (CID 55457251) is N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide is COc1cc(OC)cc(C(NC(=O)C2CCN(C(=O)c3ccco3)CC2)c2nccn2C)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is XLYOBAGXOWUQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-27-11-8-25-22(27)21(17-13-18(31-2)15-19(14-17)32-3)26-23(29)16-6-9-28(10-7-16)24(30)20-5-4-12-33-20/h4-5,8,11-16,21H,6-7,9-10H2,1-3H3,(H,26,29).
What are the key properties of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55457251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).