2-[(3S)-3-[(4-fluorophenoxy)methyl]-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]acetamide

C23H31FN4O3 — CID 125006574

IUPAC2-[(3S)-3-[(4-fluorophenoxy)methyl]-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]acetamide
SMILESCC(C)Cc1cc(C(=O)N2CCC[C@](COc3ccc(F)cc3)(CC(N)=O)C2)n(C)n1
InChIInChI=1S/C23H31FN4O3/c1-16(2)11-18-12-20(27(3)26-18)22(30)28-10-4-9-23(14-28,13-21(25)29)15-31-19-7-5-17(24)6-8-19/h5-8,12,16H,4,9-11,13-15H2,1-3H3,(H2,25,29)/t23-/m0/s1
InChIKeyUHFOIZUMPWVJOV-QHCPKHFHSA-N
MW430.52 g/mol
LogP2.93
Rot. Bonds8

About 2-[(3S)-3-[(4-fluorophenoxy)methyl]-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]acetamide

2-[(3S)-3-[(4-fluorophenoxy)methyl]-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]acetamide (PubChem CID 125006574) has the molecular formula C23H31FN4O3 and a molecular weight of 430.52 g/mol. Its IUPAC name is 2-[(3S)-3-[(4-fluorophenoxy)methyl]-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-[(4-fluorophenoxy)methyl]-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]acetamide
PubChem CID125006574
Molecular FormulaC23H31FN4O3
Molecular Weight430.52 g/mol
Exact Mass430.24
IUPAC Name2-[(3S)-3-[(4-fluorophenoxy)methyl]-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]acetamide
SMILESCC(C)Cc1cc(C(=O)N2CCC[C@](COc3ccc(F)cc3)(CC(N)=O)C2)n(C)n1
InChIInChI=1S/C23H31FN4O3/c1-16(2)11-18-12-20(27(3)26-18)22(30)28-10-4-9-23(14-28,13-21(25)29)15-31-19-7-5-17(24)6-8-19/h5-8,12,16H,4,9-11,13-15H2,1-3H3,(H2,25,29)/t23-/m0/s1
InChIKeyUHFOIZUMPWVJOV-QHCPKHFHSA-N
XLogP2.93
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-3-[(4-fluorophenoxy)methyl]-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]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-[(3S)-3-[(4-fluorophenoxy)methyl]-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-[(3S)-3-[(4-fluorophenoxy)methyl]-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]acetamide (CID 125006574) is 2-[(3S)-3-[(4-fluorophenoxy)methyl]-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3S)-3-[(4-fluorophenoxy)methyl]-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-[(3S)-3-[(4-fluorophenoxy)methyl]-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]acetamide is CC(C)Cc1cc(C(=O)N2CCC[C@](COc3ccc(F)cc3)(CC(N)=O)C2)n(C)n1.
What is the InChIKey of 2-[(3S)-3-[(4-fluorophenoxy)methyl]-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]acetamide?
The InChIKey is UHFOIZUMPWVJOV-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H31FN4O3/c1-16(2)11-18-12-20(27(3)26-18)22(30)28-10-4-9-23(14-28,13-21(25)29)15-31-19-7-5-17(24)6-8-19/h5-8,12,16H,4,9-11,13-15H2,1-3H3,(H2,25,29)/t23-/m0/s1.
What are the key properties of 2-[(3S)-3-[(4-fluorophenoxy)methyl]-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]acetamide?
2-[(3S)-3-[(4-fluorophenoxy)methyl]-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]acetamide has a molecular weight of 430.52 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[(4-fluorophenoxy)methyl]-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 125006574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).