2-(3,4-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide

C24H30N2O4 — CID 108553005

IUPAC2-(3,4-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)CCOc3ccccc3)CC2)cc1C
InChIInChI=1S/C24H30N2O4/c1-18-8-9-22(16-19(18)2)30-17-23(27)25-20-10-13-26(14-11-20)24(28)12-15-29-21-6-4-3-5-7-21/h3-9,16,20H,10-15,17H2,1-2H3,(H,25,27)
InChIKeyOKOHPOOGCDQLLA-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.26
Rot. Bonds8

About 2-(3,4-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide

2-(3,4-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide (PubChem CID 108553005) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
PubChem CID108553005
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name2-(3,4-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)CCOc3ccccc3)CC2)cc1C
InChIInChI=1S/C24H30N2O4/c1-18-8-9-22(16-19(18)2)30-17-23(27)25-20-10-13-26(14-11-20)24(28)12-15-29-21-6-4-3-5-7-21/h3-9,16,20H,10-15,17H2,1-2H3,(H,25,27)
InChIKeyOKOHPOOGCDQLLA-UHFFFAOYSA-N
XLogP3.26
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108552751
2-(4-chlorophenoxy)-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108554325
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552999
2-(3,4-dimethylphenoxy)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553023
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896
N-cyclopropyl-2-[4-[3-(3,4-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 47022937
2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 39512486
2-(4-ethoxyphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide
CID 108556308
2-chloroethyl 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560897
4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549132

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide (CID 108553005) is 2-(3,4-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide is Cc1ccc(OCC(=O)NC2CCN(C(=O)CCOc3ccccc3)CC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide?
The InChIKey is OKOHPOOGCDQLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-18-8-9-22(16-19(18)2)30-17-23(27)25-20-10-13-26(14-11-20)24(28)12-15-29-21-6-4-3-5-7-21/h3-9,16,20H,10-15,17H2,1-2H3,(H,25,27).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide?
2-(3,4-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide has a molecular weight of 410.51 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108553005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).