4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide

C24H30N2O4 — CID 108553764

IUPAC4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide
SMILESCc1ccccc1OCCCC(=O)NC1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C24H30N2O4/c1-19-8-5-6-11-22(19)29-17-7-12-23(27)25-20-13-15-26(16-14-20)24(28)18-30-21-9-3-2-4-10-21/h2-6,8-11,20H,7,12-18H2,1H3,(H,25,27)
InChIKeySAGAMCVLYKIBGS-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.34
Rot. Bonds9

About 4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide

4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide (PubChem CID 108553764) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide
PubChem CID108553764
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide
SMILESCc1ccccc1OCCCC(=O)NC1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C24H30N2O4/c1-19-8-5-6-11-22(19)29-17-7-12-23(27)25-20-13-15-26(16-14-20)24(28)18-30-21-9-3-2-4-10-21/h2-6,8-11,20H,7,12-18H2,1H3,(H,25,27)
InChIKeySAGAMCVLYKIBGS-UHFFFAOYSA-N
XLogP3.34
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.34
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-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553731
N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide
CID 108561273
N,N-diethyl-4-[4-(2-methylphenoxy)butanoylamino]piperidine-1-carboxamide
CID 108561260
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide
CID 108553641
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553730
4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108553773
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553786
2-(4-ethoxyphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide
CID 108556308
N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 110822925
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
4-methoxy-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108548928

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide?
The IUPAC name of 4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide (CID 108553764) is 4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide?
The canonical SMILES for 4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide is Cc1ccccc1OCCCC(=O)NC1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of 4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide?
The InChIKey is SAGAMCVLYKIBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-19-8-5-6-11-22(19)29-17-7-12-23(27)25-20-13-15-26(16-14-20)24(28)18-30-21-9-3-2-4-10-21/h2-6,8-11,20H,7,12-18H2,1H3,(H,25,27).
What are the key properties of 4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide?
4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide has a molecular weight of 410.51 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 108553764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).