N-[2-(3-fluorophenyl)-2-methylpropyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide

C21H31FN2O2 — CID 92634063

IUPACN-[2-(3-fluorophenyl)-2-methylpropyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
SMILESCC(C)C(=O)N1CCC(CC(=O)NCC(C)(C)c2cccc(F)c2)CC1
InChIInChI=1S/C21H31FN2O2/c1-15(2)20(26)24-10-8-16(9-11-24)12-19(25)23-14-21(3,4)17-6-5-7-18(22)13-17/h5-7,13,15-16H,8-12,14H2,1-4H3,(H,23,25)
InChIKeyWVFRRCDOFFPFHN-UHFFFAOYSA-N
MW362.49 g/mol
LogP3.50
Rot. Bonds6

About N-[2-(3-fluorophenyl)-2-methylpropyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide

N-[2-(3-fluorophenyl)-2-methylpropyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide (PubChem CID 92634063) has the molecular formula C21H31FN2O2 and a molecular weight of 362.49 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methylpropyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methylpropyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
PubChem CID92634063
Molecular FormulaC21H31FN2O2
Molecular Weight362.49 g/mol
Exact Mass362.24
IUPAC NameN-[2-(3-fluorophenyl)-2-methylpropyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
SMILESCC(C)C(=O)N1CCC(CC(=O)NCC(C)(C)c2cccc(F)c2)CC1
InChIInChI=1S/C21H31FN2O2/c1-15(2)20(26)24-10-8-16(9-11-24)12-19(25)23-14-21(3,4)17-6-5-7-18(22)13-17/h5-7,13,15-16H,8-12,14H2,1-4H3,(H,23,25)
InChIKeyWVFRRCDOFFPFHN-UHFFFAOYSA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methylpropyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methylpropyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide (CID 92634063) is N-[2-(3-fluorophenyl)-2-methylpropyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methylpropyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methylpropyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide is CC(C)C(=O)N1CCC(CC(=O)NCC(C)(C)c2cccc(F)c2)CC1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methylpropyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide?
The InChIKey is WVFRRCDOFFPFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN2O2/c1-15(2)20(26)24-10-8-16(9-11-24)12-19(25)23-14-21(3,4)17-6-5-7-18(22)13-17/h5-7,13,15-16H,8-12,14H2,1-4H3,(H,23,25).
What are the key properties of N-[2-(3-fluorophenyl)-2-methylpropyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide?
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide has a molecular weight of 362.49 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methylpropyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 92634063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).