2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide

C25H37N3O5 — CID 6487385

IUPAC2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CC(NC(C)=O)C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1OC
InChIInChI=1S/C25H37N3O5/c1-17(29)26-21(15-18-9-10-22(32-2)23(16-18)33-3)24(30)27-20-11-13-28(14-12-20)25(31)19-7-5-4-6-8-19/h9-10,16,19-21H,4-8,11-15H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyWOUHCPQHGVJWRK-UHFFFAOYSA-N
MW459.59 g/mol
LogP2.44
Rot. Bonds8

About 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide

2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 6487385) has the molecular formula C25H37N3O5 and a molecular weight of 459.59 g/mol. Its IUPAC name is 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID6487385
Molecular FormulaC25H37N3O5
Molecular Weight459.59 g/mol
Exact Mass459.27
IUPAC Name2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CC(NC(C)=O)C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1OC
InChIInChI=1S/C25H37N3O5/c1-17(29)26-21(15-18-9-10-22(32-2)23(16-18)33-3)24(30)27-20-11-13-28(14-12-20)25(31)19-7-5-4-6-8-19/h9-10,16,19-21H,4-8,11-15H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyWOUHCPQHGVJWRK-UHFFFAOYSA-N
XLogP2.44
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide (CID 6487385) is 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CC(NC(C)=O)C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1OC.
What is the InChIKey of 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is WOUHCPQHGVJWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O5/c1-17(29)26-21(15-18-9-10-22(32-2)23(16-18)33-3)24(30)27-20-11-13-28(14-12-20)25(31)19-7-5-4-6-8-19/h9-10,16,19-21H,4-8,11-15H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide?
2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 459.59 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 6487385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).