1-[2-(2-tert-butylphenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide

C22H34N2O4 — CID 60551898

IUPAC1-[2-(2-tert-butylphenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)COc2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C22H34N2O4/c1-22(2,3)18-8-5-6-9-19(18)28-16-20(25)24-13-10-17(11-14-24)21(26)23-12-7-15-27-4/h5-6,8-9,17H,7,10-16H2,1-4H3,(H,23,26)
InChIKeyOVEDBVUSGXEUEZ-UHFFFAOYSA-N
MW390.52 g/mol
LogP2.75
Rot. Bonds8

About 1-[2-(2-tert-butylphenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide

1-[2-(2-tert-butylphenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 60551898) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is 1-[2-(2-tert-butylphenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-tert-butylphenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID60551898
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Name1-[2-(2-tert-butylphenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)COc2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C22H34N2O4/c1-22(2,3)18-8-5-6-9-19(18)28-16-20(25)24-13-10-17(11-14-24)21(26)23-12-7-15-27-4/h5-6,8-9,17H,7,10-16H2,1-4H3,(H,23,26)
InChIKeyOVEDBVUSGXEUEZ-UHFFFAOYSA-N
XLogP2.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
1-[2-(4-iodophenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55974467
1-(4-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone
CID 92922616
1-[3-(2-methoxyphenyl)propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55974466
2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 60681856
N-(3-methoxypropyl)-1-[(3R)-3-phenylbutanoyl]piperidine-4-carboxamide
CID 95322166
1-(2-phenoxyacetyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55635182
2-[1-[2-(2-tert-butylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 56813572
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-tert-butylphenoxy)ethanone
CID 119411568
N-(2-methoxyethyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 113003233
2-(2-tert-butylphenoxy)-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 31059122
N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 17465957

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-tert-butylphenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-tert-butylphenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 60551898) is 1-[2-(2-tert-butylphenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-tert-butylphenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-tert-butylphenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(C(=O)COc2ccccc2C(C)(C)C)CC1.
What is the InChIKey of 1-[2-(2-tert-butylphenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is OVEDBVUSGXEUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-22(2,3)18-8-5-6-9-19(18)28-16-20(25)24-13-10-17(11-14-24)21(26)23-12-7-15-27-4/h5-6,8-9,17H,7,10-16H2,1-4H3,(H,23,26).
What are the key properties of 1-[2-(2-tert-butylphenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-[2-(2-tert-butylphenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 390.52 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-tert-butylphenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 60551898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).