formic acid;N-[5-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylphenyl]-1-methyl-6-oxopiperidine-3-carboxamide

C20H25N5O5 — CID 172910663

IUPACformic acid;N-[5-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylphenyl]-1-methyl-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ncc[nH]2)cc1NC(=O)C1CCC(=O)N(C)C1.O=CO
InChIInChI=1S/C19H23N5O3.CH2O2/c1-12-3-4-13(18(26)22-10-16-20-7-8-21-16)9-15(12)23-19(27)14-5-6-17(25)24(2)11-14;2-1-3/h3-4,7-9,14H,5-6,10-11H2,1-2H3,(H,20,21)(H,22,26)(H,23,27);1H,(H,2,3)
InChIKeyJQGUTBRODHDCQT-UHFFFAOYSA-N
MW415.45 g/mol
LogP1.16
Rot. Bonds5

About formic acid;N-[5-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylphenyl]-1-methyl-6-oxopiperidine-3-carboxamide

formic acid;N-[5-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylphenyl]-1-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 172910663) has the molecular formula C20H25N5O5 and a molecular weight of 415.45 g/mol. Its IUPAC name is formic acid;N-[5-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylphenyl]-1-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Nameformic acid;N-[5-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylphenyl]-1-methyl-6-oxopiperidine-3-carboxamide
PubChem CID172910663
Molecular FormulaC20H25N5O5
Molecular Weight415.45 g/mol
Exact Mass415.19
IUPAC Nameformic acid;N-[5-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylphenyl]-1-methyl-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ncc[nH]2)cc1NC(=O)C1CCC(=O)N(C)C1.O=CO
InChIInChI=1S/C19H23N5O3.CH2O2/c1-12-3-4-13(18(26)22-10-16-20-7-8-21-16)9-15(12)23-19(27)14-5-6-17(25)24(2)11-14;2-1-3/h3-4,7-9,14H,5-6,10-11H2,1-2H3,(H,20,21)(H,22,26)(H,23,27);1H,(H,2,3)
InChIKeyJQGUTBRODHDCQT-UHFFFAOYSA-N
XLogP1.16
TPSA144.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[5-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methylphenyl]-1-methylpyrrolidine-3-carboxamide;formic acid
CID 172896355
N-(1H-imidazol-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
CID 64523208
(3S)-1-[2-(4-chlorophenyl)ethyl]-N-(1H-imidazol-2-ylmethyl)-6-oxopiperidine-3-carboxamide
CID 25274345
N-(1H-imidazol-2-ylmethyl)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 72921861
N-[5-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-2-methylphenyl]-1-methylpyrrolidine-3-carboxamide
CID 172671198
N-[5-(1H-indol-6-ylmethylcarbamoyl)-2-methylphenyl]-1-methylpiperidine-3-carboxamide
CID 172665416
3-(4-hydroxybut-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-4-methylbenzamide
CID 81458928
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[3-(1H-imidazol-2-ylmethylamino)-4-methylphenyl]methanone
CID 97236628
(7S)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97339558
3-(cyclopropanecarbonylamino)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 50982203
N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55782726
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-[[2-(1-methylpyrrolidin-3-yl)acetyl]amino]benzamide;formic acid
CID 172896691

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[5-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylphenyl]-1-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of formic acid;N-[5-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylphenyl]-1-methyl-6-oxopiperidine-3-carboxamide (CID 172910663) is formic acid;N-[5-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylphenyl]-1-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for formic acid;N-[5-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylphenyl]-1-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for formic acid;N-[5-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylphenyl]-1-methyl-6-oxopiperidine-3-carboxamide is Cc1ccc(C(=O)NCc2ncc[nH]2)cc1NC(=O)C1CCC(=O)N(C)C1.O=CO.
What is the InChIKey of formic acid;N-[5-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylphenyl]-1-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is JQGUTBRODHDCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3.CH2O2/c1-12-3-4-13(18(26)22-10-16-20-7-8-21-16)9-15(12)23-19(27)14-5-6-17(25)24(2)11-14;2-1-3/h3-4,7-9,14H,5-6,10-11H2,1-2H3,(H,20,21)(H,22,26)(H,23,27);1H,(H,2,3).
What are the key properties of formic acid;N-[5-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylphenyl]-1-methyl-6-oxopiperidine-3-carboxamide?
formic acid;N-[5-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylphenyl]-1-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 1.16, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[5-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylphenyl]-1-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 172910663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).