N-[4-(4-fluorophenyl)-1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]acetamide

C25H31FN2O2 — CID 110221450

IUPACN-[4-(4-fluorophenyl)-1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccc(F)cc2)CCN(CC(O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C25H31FN2O2/c1-18(29)27-25(22-8-10-23(26)11-9-22)12-14-28(15-13-25)17-24(30)21-7-6-19-4-2-3-5-20(19)16-21/h6-11,16,24,30H,2-5,12-15,17H2,1H3,(H,27,29)
InChIKeyASJVGKSNZWGUTP-UHFFFAOYSA-N
MW410.53 g/mol
LogP3.87
Rot. Bonds5

About N-[4-(4-fluorophenyl)-1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]acetamide

N-[4-(4-fluorophenyl)-1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]acetamide (PubChem CID 110221450) has the molecular formula C25H31FN2O2 and a molecular weight of 410.53 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]acetamide
PubChem CID110221450
Molecular FormulaC25H31FN2O2
Molecular Weight410.53 g/mol
Exact Mass410.24
IUPAC NameN-[4-(4-fluorophenyl)-1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccc(F)cc2)CCN(CC(O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C25H31FN2O2/c1-18(29)27-25(22-8-10-23(26)11-9-22)12-14-28(15-13-25)17-24(30)21-7-6-19-4-2-3-5-20(19)16-21/h6-11,16,24,30H,2-5,12-15,17H2,1H3,(H,27,29)
InChIKeyASJVGKSNZWGUTP-UHFFFAOYSA-N
XLogP3.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
CID 110221431
4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-ol
CID 51501654
N-[1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-phenylpiperidin-4-yl]acetamide
CID 110221422
N-[1-[2-hydroxy-2-(1-propanoyl-2,3-dihydroindol-5-yl)ethyl]-4-phenylpiperidin-4-yl]acetamide
CID 110220887
2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82118360
N-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-phenylpiperidin-4-yl]acetamide
CID 110221442
1-(2,3-dihydro-1H-inden-5-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol
CID 82216666
N-[1-(4-fluorophenyl)cyclopentyl]acetamide
CID 71936960
N-[1-[[(2S)-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl]methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide
CID 92584365
N-[4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 95802418
N-[4-(4-fluorophenyl)-1-[(2-piperidin-1-ylphenyl)methyl]piperidin-4-yl]acetamide
CID 16673788
N-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 82116189

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]acetamide (CID 110221450) is N-[4-(4-fluorophenyl)-1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]acetamide is CC(=O)NC1(c2ccc(F)cc2)CCN(CC(O)c2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]acetamide?
The InChIKey is ASJVGKSNZWGUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O2/c1-18(29)27-25(22-8-10-23(26)11-9-22)12-14-28(15-13-25)17-24(30)21-7-6-19-4-2-3-5-20(19)16-21/h6-11,16,24,30H,2-5,12-15,17H2,1H3,(H,27,29).
What are the key properties of N-[4-(4-fluorophenyl)-1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]acetamide?
N-[4-(4-fluorophenyl)-1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]acetamide has a molecular weight of 410.53 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 110221450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).