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

C17H23FN2O2 — CID 95802418

IUPACN-[4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccc(F)cc2)CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C17H23FN2O2/c1-12(2)16(22)20-10-8-17(9-11-20,19-13(3)21)14-4-6-15(18)7-5-14/h4-7,12H,8-11H2,1-3H3,(H,19,21)
InChIKeyZCQUINOZOOSPPQ-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.44
Rot. Bonds3

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

N-[4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperidin-4-yl]acetamide (PubChem CID 95802418) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperidin-4-yl]acetamide
PubChem CID95802418
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC NameN-[4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccc(F)cc2)CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C17H23FN2O2/c1-12(2)16(22)20-10-8-17(9-11-20,19-13(3)21)14-4-6-15(18)7-5-14/h4-7,12H,8-11H2,1-3H3,(H,19,21)
InChIKeyZCQUINOZOOSPPQ-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)cyclopentyl]acetamide
CID 71936960
N-[4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
CID 110221431
N-[1-[4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]cyclopropyl]acetamide
CID 18423134
N-[4-(4-fluorophenyl)-1-[(2-piperidin-1-ylphenyl)methyl]piperidin-4-yl]acetamide
CID 16673788
N-[4-(4-fluorophenyl)-1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]acetamide
CID 110221450
(2R)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]propanamide
CID 119318315
N-[1-(4-fluorophenyl)cyclopropyl]-3-methylbutanamide
CID 71684215
N-[1-(4-fluorophenyl)cyclopropyl]piperazine-1-carboxamide
CID 110469612
N-[1-[(3-chloro-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide
CID 16673789
N-[1-(cyclopropanecarbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide
CID 1444021
1-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one
CID 97493619
1-butan-2-yl-3-[1-(4-fluorophenyl)cyclopentyl]urea
CID 110490855

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperidin-4-yl]acetamide (CID 95802418) is N-[4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperidin-4-yl]acetamide is CC(=O)NC1(c2ccc(F)cc2)CCN(C(=O)C(C)C)CC1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperidin-4-yl]acetamide?
The InChIKey is ZCQUINOZOOSPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-12(2)16(22)20-10-8-17(9-11-20,19-13(3)21)14-4-6-15(18)7-5-14/h4-7,12H,8-11H2,1-3H3,(H,19,21).
What are the key properties of N-[4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperidin-4-yl]acetamide?
N-[4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperidin-4-yl]acetamide has a molecular weight of 306.38 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 95802418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).