2-amino-N-[1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide

C21H27ClF3N5O2 — CID 68552829

IUPAC2-amino-N-[1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
SMILESCOc1cc(N2CCC(C(Cn3nc(C(F)(F)F)cc3C)NC(=O)CN)CC2)ccc1Cl
InChIInChI=1S/C21H27ClF3N5O2/c1-13-9-19(21(23,24)25)28-30(13)12-17(27-20(31)11-26)14-5-7-29(8-6-14)15-3-4-16(22)18(10-15)32-2/h3-4,9-10,14,17H,5-8,11-12,26H2,1-2H3,(H,27,31)
InChIKeyFVGVLBNQGOVTAI-UHFFFAOYSA-N
MW473.93 g/mol
LogP3.23
Rot. Bonds7

About 2-amino-N-[1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide

2-amino-N-[1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide (PubChem CID 68552829) has the molecular formula C21H27ClF3N5O2 and a molecular weight of 473.93 g/mol. Its IUPAC name is 2-amino-N-[1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
PubChem CID68552829
Molecular FormulaC21H27ClF3N5O2
Molecular Weight473.93 g/mol
Exact Mass473.18
IUPAC Name2-amino-N-[1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
SMILESCOc1cc(N2CCC(C(Cn3nc(C(F)(F)F)cc3C)NC(=O)CN)CC2)ccc1Cl
InChIInChI=1S/C21H27ClF3N5O2/c1-13-9-19(21(23,24)25)28-30(13)12-17(27-20(31)11-26)14-5-7-29(8-6-14)15-3-4-16(22)18(10-15)32-2/h3-4,9-10,14,17H,5-8,11-12,26H2,1-2H3,(H,27,31)
InChIKeyFVGVLBNQGOVTAI-UHFFFAOYSA-N
XLogP3.23
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.93
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide 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-amino-N-[1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The IUPAC name of 2-amino-N-[1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide (CID 68552829) is 2-amino-N-[1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The canonical SMILES for 2-amino-N-[1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide is COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)cc3C)NC(=O)CN)CC2)ccc1Cl.
What is the InChIKey of 2-amino-N-[1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The InChIKey is FVGVLBNQGOVTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClF3N5O2/c1-13-9-19(21(23,24)25)28-30(13)12-17(27-20(31)11-26)14-5-7-29(8-6-14)15-3-4-16(22)18(10-15)32-2/h3-4,9-10,14,17H,5-8,11-12,26H2,1-2H3,(H,27,31).
What are the key properties of 2-amino-N-[1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
2-amino-N-[1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide has a molecular weight of 473.93 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 68552829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).