4-anilino-N-(2-methoxyethyl)-1-(oxan-4-ylmethyl)piperidine-4-carboxamide;formic acid

C22H35N3O5 — CID 171693395

IUPAC4-anilino-N-(2-methoxyethyl)-1-(oxan-4-ylmethyl)piperidine-4-carboxamide;formic acid
SMILESCOCCNC(=O)C1(Nc2ccccc2)CCN(CC2CCOCC2)CC1.O=CO
InChIInChI=1S/C21H33N3O3.CH2O2/c1-26-16-11-22-20(25)21(23-19-5-3-2-4-6-19)9-12-24(13-10-21)17-18-7-14-27-15-8-18;2-1-3/h2-6,18,23H,7-17H2,1H3,(H,22,25);1H,(H,2,3)
InChIKeyWXDOMHFOTULXCA-UHFFFAOYSA-N
MW421.54 g/mol
LogP1.82
Rot. Bonds8

About 4-anilino-N-(2-methoxyethyl)-1-(oxan-4-ylmethyl)piperidine-4-carboxamide;formic acid

4-anilino-N-(2-methoxyethyl)-1-(oxan-4-ylmethyl)piperidine-4-carboxamide;formic acid (PubChem CID 171693395) has the molecular formula C22H35N3O5 and a molecular weight of 421.54 g/mol. Its IUPAC name is 4-anilino-N-(2-methoxyethyl)-1-(oxan-4-ylmethyl)piperidine-4-carboxamide;formic acid.

Molecular Properties

Compound Name4-anilino-N-(2-methoxyethyl)-1-(oxan-4-ylmethyl)piperidine-4-carboxamide;formic acid
PubChem CID171693395
Molecular FormulaC22H35N3O5
Molecular Weight421.54 g/mol
Exact Mass421.26
IUPAC Name4-anilino-N-(2-methoxyethyl)-1-(oxan-4-ylmethyl)piperidine-4-carboxamide;formic acid
SMILESCOCCNC(=O)C1(Nc2ccccc2)CCN(CC2CCOCC2)CC1.O=CO
InChIInChI=1S/C21H33N3O3.CH2O2/c1-26-16-11-22-20(25)21(23-19-5-3-2-4-6-19)9-12-24(13-10-21)17-18-7-14-27-15-8-18;2-1-3/h2-6,18,23H,7-17H2,1H3,(H,22,25);1H,(H,2,3)
InChIKeyWXDOMHFOTULXCA-UHFFFAOYSA-N
XLogP1.82
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

4-anilino-N-(2-methoxyethyl)-1-propanoylpiperidine-4-carboxamide
CID 155876364
1-(oxan-4-ylmethyl)-N-phenyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155876344
1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108972742
N-(2-methoxyethyl)-1-(oxane-4-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873927
formic acid;N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 155874464
1-anilino-N-(2-hydroxy-3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide
CID 126839949
1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
CID 155879288
3-(3-fluoroanilino)-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 155874713
ethyl 4-anilino-1-ethylpiperidine-4-carboxylate
CID 60992582
N-[4-hydroxy-1-(oxan-4-ylmethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 171346845
1-cyclopropylsulfonyl-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155879839
1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108972809

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-(2-methoxyethyl)-1-(oxan-4-ylmethyl)piperidine-4-carboxamide;formic acid?
The IUPAC name of 4-anilino-N-(2-methoxyethyl)-1-(oxan-4-ylmethyl)piperidine-4-carboxamide;formic acid (CID 171693395) is 4-anilino-N-(2-methoxyethyl)-1-(oxan-4-ylmethyl)piperidine-4-carboxamide;formic acid.
What is the SMILES notation for 4-anilino-N-(2-methoxyethyl)-1-(oxan-4-ylmethyl)piperidine-4-carboxamide;formic acid?
The canonical SMILES for 4-anilino-N-(2-methoxyethyl)-1-(oxan-4-ylmethyl)piperidine-4-carboxamide;formic acid is COCCNC(=O)C1(Nc2ccccc2)CCN(CC2CCOCC2)CC1.O=CO.
What is the InChIKey of 4-anilino-N-(2-methoxyethyl)-1-(oxan-4-ylmethyl)piperidine-4-carboxamide;formic acid?
The InChIKey is WXDOMHFOTULXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3.CH2O2/c1-26-16-11-22-20(25)21(23-19-5-3-2-4-6-19)9-12-24(13-10-21)17-18-7-14-27-15-8-18;2-1-3/h2-6,18,23H,7-17H2,1H3,(H,22,25);1H,(H,2,3).
What are the key properties of 4-anilino-N-(2-methoxyethyl)-1-(oxan-4-ylmethyl)piperidine-4-carboxamide;formic acid?
4-anilino-N-(2-methoxyethyl)-1-(oxan-4-ylmethyl)piperidine-4-carboxamide;formic acid has a molecular weight of 421.54 g/mol, XLogP of 1.82, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-(2-methoxyethyl)-1-(oxan-4-ylmethyl)piperidine-4-carboxamide;formic acid is sourced from PubChem (CID 171693395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).