2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(1-methylpiperidin-4-yl)imidazol-4-yl]pentanamide

C22H29F2N5O2 — CID 11502949

IUPAC2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(1-methylpiperidin-4-yl)imidazol-4-yl]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C2CCN(C)CC2)cn1
InChIInChI=1S/C22H29F2N5O2/c1-3-4-19(26-21(30)11-15-9-16(23)12-17(24)10-15)22(31)27-20-13-29(14-25-20)18-5-7-28(2)8-6-18/h9-10,12-14,18-19H,3-8,11H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyXUJNIRIKEBZCRX-UHFFFAOYSA-N
MW433.50 g/mol
LogP2.89
Rot. Bonds8

About 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(1-methylpiperidin-4-yl)imidazol-4-yl]pentanamide

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(1-methylpiperidin-4-yl)imidazol-4-yl]pentanamide (PubChem CID 11502949) has the molecular formula C22H29F2N5O2 and a molecular weight of 433.50 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(1-methylpiperidin-4-yl)imidazol-4-yl]pentanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(1-methylpiperidin-4-yl)imidazol-4-yl]pentanamide
PubChem CID11502949
Molecular FormulaC22H29F2N5O2
Molecular Weight433.50 g/mol
Exact Mass433.23
IUPAC Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(1-methylpiperidin-4-yl)imidazol-4-yl]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C2CCN(C)CC2)cn1
InChIInChI=1S/C22H29F2N5O2/c1-3-4-19(26-21(30)11-15-9-16(23)12-17(24)10-15)22(31)27-20-13-29(14-25-20)18-5-7-28(2)8-6-18/h9-10,12-14,18-19H,3-8,11H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyXUJNIRIKEBZCRX-UHFFFAOYSA-N
XLogP2.89
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(1-methylpiperidin-4-yl)imidazol-4-yl]pentanamide 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-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(1-methylpiperidin-4-yl)imidazol-4-yl]pentanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(1-methylpiperidin-4-yl)imidazol-4-yl]pentanamide (CID 11502949) is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(1-methylpiperidin-4-yl)imidazol-4-yl]pentanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(1-methylpiperidin-4-yl)imidazol-4-yl]pentanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(1-methylpiperidin-4-yl)imidazol-4-yl]pentanamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C2CCN(C)CC2)cn1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(1-methylpiperidin-4-yl)imidazol-4-yl]pentanamide?
The InChIKey is XUJNIRIKEBZCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F2N5O2/c1-3-4-19(26-21(30)11-15-9-16(23)12-17(24)10-15)22(31)27-20-13-29(14-25-20)18-5-7-28(2)8-6-18/h9-10,12-14,18-19H,3-8,11H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(1-methylpiperidin-4-yl)imidazol-4-yl]pentanamide?
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(1-methylpiperidin-4-yl)imidazol-4-yl]pentanamide has a molecular weight of 433.50 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(1-methylpiperidin-4-yl)imidazol-4-yl]pentanamide is sourced from PubChem (CID 11502949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).