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

C24H29N3O4 — CID 55934245

IUPAC1-[2-[3-(2,3-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide
SMILESCc1cccc(OCCC(=O)Nc2ccccc2C(=O)N2CCC(C(N)=O)CC2)c1C
InChIInChI=1S/C24H29N3O4/c1-16-6-5-9-21(17(16)2)31-15-12-22(28)26-20-8-4-3-7-19(20)24(30)27-13-10-18(11-14-27)23(25)29/h3-9,18H,10-15H2,1-2H3,(H2,25,29)(H,26,28)
InChIKeyMZIKBDRFWDHVDV-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.05
Rot. Bonds7

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

1-[2-[3-(2,3-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide (PubChem CID 55934245) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 1-[2-[3-(2,3-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[3-(2,3-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide
PubChem CID55934245
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name1-[2-[3-(2,3-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide
SMILESCc1cccc(OCCC(=O)Nc2ccccc2C(=O)N2CCC(C(N)=O)CC2)c1C
InChIInChI=1S/C24H29N3O4/c1-16-6-5-9-21(17(16)2)31-15-12-22(28)26-20-8-4-3-7-19(20)24(30)27-13-10-18(11-14-27)23(25)29/h3-9,18H,10-15H2,1-2H3,(H2,25,29)(H,26,28)
InChIKeyMZIKBDRFWDHVDV-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-(2,4-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide
CID 55642415
1-[2-[(2-iodo-3-methylbenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 60544520
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
1-[2-(2-phenoxyethoxy)benzoyl]piperidine-4-carboxamide
CID 31302453
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dimethylphenoxy)propanamide
CID 86985236
N-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide
CID 19190988
2-(2,3-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide
CID 108552814
(3S)-1-[3-(2,3-dimethylphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 129368712
3-(2,3-dimethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 55595949
2-methoxyethyl 4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butanoate
CID 17339118
1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55642413

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2,3-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[3-(2,3-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide (CID 55934245) is 1-[2-[3-(2,3-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[3-(2,3-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[3-(2,3-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide is Cc1cccc(OCCC(=O)Nc2ccccc2C(=O)N2CCC(C(N)=O)CC2)c1C.
What is the InChIKey of 1-[2-[3-(2,3-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide?
The InChIKey is MZIKBDRFWDHVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-16-6-5-9-21(17(16)2)31-15-12-22(28)26-20-8-4-3-7-19(20)24(30)27-13-10-18(11-14-27)23(25)29/h3-9,18H,10-15H2,1-2H3,(H2,25,29)(H,26,28).
What are the key properties of 1-[2-[3-(2,3-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide?
1-[2-[3-(2,3-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-(2,3-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55934245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).