1-[2-[3-(2,4-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide

C24H29N3O4 — CID 55642415

IUPAC1-[2-[3-(2,4-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide
SMILESCc1ccc(OCCC(=O)Nc2ccccc2C(=O)N2CCC(C(N)=O)CC2)c(C)c1
InChIInChI=1S/C24H29N3O4/c1-16-7-8-21(17(2)15-16)31-14-11-22(28)26-20-6-4-3-5-19(20)24(30)27-12-9-18(10-13-27)23(25)29/h3-8,15,18H,9-14H2,1-2H3,(H2,25,29)(H,26,28)
InChIKeyCKIYJRDWDPLBHX-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.05
Rot. Bonds7

About 1-[2-[3-(2,4-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide

1-[2-[3-(2,4-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide (PubChem CID 55642415) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 1-[2-[3-(2,4-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[3-(2,4-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide
PubChem CID55642415
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name1-[2-[3-(2,4-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide
SMILESCc1ccc(OCCC(=O)Nc2ccccc2C(=O)N2CCC(C(N)=O)CC2)c(C)c1
InChIInChI=1S/C24H29N3O4/c1-16-7-8-21(17(2)15-16)31-14-11-22(28)26-20-6-4-3-5-19(20)24(30)27-12-9-18(10-13-27)23(25)29/h3-8,15,18H,9-14H2,1-2H3,(H2,25,29)(H,26,28)
InChIKeyCKIYJRDWDPLBHX-UHFFFAOYSA-N
XLogP3.05
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-(2,3-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide
CID 55934245
1-[2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]benzoyl]piperidine-4-carboxamide
CID 55932978
1-[2-[(3,4-dimethylbenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55645237
3-(2,4-dimethylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 39683094
2-(4-chloro-2-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939353
2-(2-bromo-4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939411
1-[2-[(2-iodo-3-methylbenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 60544520
N-(2-acetylphenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 4803683
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid
CID 45426301
3-(4-methylphenyl)sulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 1296490
1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55642413
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7815364

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2,4-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[3-(2,4-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide (CID 55642415) is 1-[2-[3-(2,4-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[3-(2,4-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[3-(2,4-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide is Cc1ccc(OCCC(=O)Nc2ccccc2C(=O)N2CCC(C(N)=O)CC2)c(C)c1.
What is the InChIKey of 1-[2-[3-(2,4-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide?
The InChIKey is CKIYJRDWDPLBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-16-7-8-21(17(2)15-16)31-14-11-22(28)26-20-6-4-3-5-19(20)24(30)27-12-9-18(10-13-27)23(25)29/h3-8,15,18H,9-14H2,1-2H3,(H2,25,29)(H,26,28).
What are the key properties of 1-[2-[3-(2,4-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide?
1-[2-[3-(2,4-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2,4-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55642415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).