1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N-(2-methoxyethyl)piperidine-4-carboxamide;formic acid

C21H29ClN4O6 — CID 155871130

IUPAC1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N-(2-methoxyethyl)piperidine-4-carboxamide;formic acid
SMILESCOCCNC(=O)C1(n2ccnc2)CCN(Cc2ccccc2Cl)CC1.O=CO.O=CO
InChIInChI=1S/C19H25ClN4O2.2CH2O2/c1-26-13-9-22-18(25)19(24-12-8-21-15-24)6-10-23(11-7-19)14-16-4-2-3-5-17(16)20;2*2-1-3/h2-5,8,12,15H,6-7,9-11,13-14H2,1H3,(H,22,25);2*1H,(H,2,3)
InChIKeyKIZPIAUBDQKQCX-UHFFFAOYSA-N
MW468.94 g/mol
LogP1.69
Rot. Bonds7

About 1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N-(2-methoxyethyl)piperidine-4-carboxamide;formic acid

1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N-(2-methoxyethyl)piperidine-4-carboxamide;formic acid (PubChem CID 155871130) has the molecular formula C21H29ClN4O6 and a molecular weight of 468.94 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N-(2-methoxyethyl)piperidine-4-carboxamide;formic acid.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N-(2-methoxyethyl)piperidine-4-carboxamide;formic acid
PubChem CID155871130
Molecular FormulaC21H29ClN4O6
Molecular Weight468.94 g/mol
Exact Mass468.18
IUPAC Name1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N-(2-methoxyethyl)piperidine-4-carboxamide;formic acid
SMILESCOCCNC(=O)C1(n2ccnc2)CCN(Cc2ccccc2Cl)CC1.O=CO.O=CO
InChIInChI=1S/C19H25ClN4O2.2CH2O2/c1-26-13-9-22-18(25)19(24-12-8-21-15-24)6-10-23(11-7-19)14-16-4-2-3-5-17(16)20;2*2-1-3/h2-5,8,12,15H,6-7,9-11,13-14H2,1H3,(H,22,25);2*1H,(H,2,3)
InChIKeyKIZPIAUBDQKQCX-UHFFFAOYSA-N
XLogP1.69
TPSA133.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.94
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 155875558
formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 171695932
4-imidazol-1-yl-N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 155871591
1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide;formic acid
CID 171695756
4-imidazol-1-yl-N-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 155872596
(2S)-1-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92730973
3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 56704613
4-imidazol-1-yl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 56898257
N'-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)oxamide
CID 44996627
methyl 8-[(2-chlorophenyl)methyl]-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687335
formic acid;N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 155874464
N-[(2-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673533

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N-(2-methoxyethyl)piperidine-4-carboxamide;formic acid?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N-(2-methoxyethyl)piperidine-4-carboxamide;formic acid (CID 155871130) is 1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N-(2-methoxyethyl)piperidine-4-carboxamide;formic acid.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N-(2-methoxyethyl)piperidine-4-carboxamide;formic acid?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N-(2-methoxyethyl)piperidine-4-carboxamide;formic acid is COCCNC(=O)C1(n2ccnc2)CCN(Cc2ccccc2Cl)CC1.O=CO.O=CO.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N-(2-methoxyethyl)piperidine-4-carboxamide;formic acid?
The InChIKey is KIZPIAUBDQKQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2.2CH2O2/c1-26-13-9-22-18(25)19(24-12-8-21-15-24)6-10-23(11-7-19)14-16-4-2-3-5-17(16)20;2*2-1-3/h2-5,8,12,15H,6-7,9-11,13-14H2,1H3,(H,22,25);2*1H,(H,2,3).
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N-(2-methoxyethyl)piperidine-4-carboxamide;formic acid?
1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N-(2-methoxyethyl)piperidine-4-carboxamide;formic acid has a molecular weight of 468.94 g/mol, XLogP of 1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N-(2-methoxyethyl)piperidine-4-carboxamide;formic acid is sourced from PubChem (CID 155871130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).