2-(1-acetylpiperidin-4-yl)-N-[2-(3,4-dichlorophenyl)-2-hydroxycyclopentyl]acetamide

C20H26Cl2N2O3 — CID 170578653

IUPAC2-(1-acetylpiperidin-4-yl)-N-[2-(3,4-dichlorophenyl)-2-hydroxycyclopentyl]acetamide
SMILESCC(=O)N1CCC(CC(=O)NC2CCCC2(O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C20H26Cl2N2O3/c1-13(25)24-9-6-14(7-10-24)11-19(26)23-18-3-2-8-20(18,27)15-4-5-16(21)17(22)12-15/h4-5,12,14,18,27H,2-3,6-11H2,1H3,(H,23,26)
InChIKeyALIWSAXTDNDINE-UHFFFAOYSA-N
MW413.35 g/mol
LogP3.50
Rot. Bonds4

About 2-(1-acetylpiperidin-4-yl)-N-[2-(3,4-dichlorophenyl)-2-hydroxycyclopentyl]acetamide

2-(1-acetylpiperidin-4-yl)-N-[2-(3,4-dichlorophenyl)-2-hydroxycyclopentyl]acetamide (PubChem CID 170578653) has the molecular formula C20H26Cl2N2O3 and a molecular weight of 413.35 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)-N-[2-(3,4-dichlorophenyl)-2-hydroxycyclopentyl]acetamide.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)-N-[2-(3,4-dichlorophenyl)-2-hydroxycyclopentyl]acetamide
PubChem CID170578653
Molecular FormulaC20H26Cl2N2O3
Molecular Weight413.35 g/mol
Exact Mass412.13
IUPAC Name2-(1-acetylpiperidin-4-yl)-N-[2-(3,4-dichlorophenyl)-2-hydroxycyclopentyl]acetamide
SMILESCC(=O)N1CCC(CC(=O)NC2CCCC2(O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C20H26Cl2N2O3/c1-13(25)24-9-6-14(7-10-24)11-19(26)23-18-3-2-8-20(18,27)15-4-5-16(21)17(22)12-15/h4-5,12,14,18,27H,2-3,6-11H2,1H3,(H,23,26)
InChIKeyALIWSAXTDNDINE-UHFFFAOYSA-N
XLogP3.50
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.35
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4-dichlorophenyl)cyclobutyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645165
1-(3,4-dichlorophenyl)-2-methylcyclobutan-1-ol
CID 130555024
CID 137328762
CID 137328762
2-chloro-N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]acetamide
CID 13279949
methyl (2S)-3-cyclohexyl-2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]propanoate
CID 139497422
N-[(1R,2S)-2-(3,4-dichlorophenyl)-2-(1-methylpyrrolidin-1-ium-1-yl)cyclohexyl]acetamide
CID 88794531
N-[1-[2-(1-acetylpiperidin-4-yl)acetyl]-3-(3,4-dichlorophenyl)piperidin-4-yl]-4-(chloromethyl)benzamide
CID 91063172
2-(aminomethyl)-1-(3,4-dichlorophenyl)cyclohexan-1-ol;cis-(1S,2S)-2-(aminomethyl)-1-(3,4-dichlorophenyl)cyclohexan-1-ol;cis-(1R,2R)-2-(aminomethyl)-1-(3,4-dichlorophenyl)cyclohexan-1-ol;methane
CID 159871418
3-cyclohexyl-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]propanamide
CID 108555654
2-(1-acetylpiperidin-4-yl)-N-(4-phenyl-2-pyridinyl)acetamide
CID 58442951
2-(1-acetylpiperidin-4-yl)-N-[(R)-(4-chloro-2-fluorophenyl)-cyclopentyl-iodomethyl]acetamide
CID 170581187
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 78783392

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)-N-[2-(3,4-dichlorophenyl)-2-hydroxycyclopentyl]acetamide?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)-N-[2-(3,4-dichlorophenyl)-2-hydroxycyclopentyl]acetamide (CID 170578653) is 2-(1-acetylpiperidin-4-yl)-N-[2-(3,4-dichlorophenyl)-2-hydroxycyclopentyl]acetamide.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)-N-[2-(3,4-dichlorophenyl)-2-hydroxycyclopentyl]acetamide?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)-N-[2-(3,4-dichlorophenyl)-2-hydroxycyclopentyl]acetamide is CC(=O)N1CCC(CC(=O)NC2CCCC2(O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)-N-[2-(3,4-dichlorophenyl)-2-hydroxycyclopentyl]acetamide?
The InChIKey is ALIWSAXTDNDINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N2O3/c1-13(25)24-9-6-14(7-10-24)11-19(26)23-18-3-2-8-20(18,27)15-4-5-16(21)17(22)12-15/h4-5,12,14,18,27H,2-3,6-11H2,1H3,(H,23,26).
What are the key properties of 2-(1-acetylpiperidin-4-yl)-N-[2-(3,4-dichlorophenyl)-2-hydroxycyclopentyl]acetamide?
2-(1-acetylpiperidin-4-yl)-N-[2-(3,4-dichlorophenyl)-2-hydroxycyclopentyl]acetamide has a molecular weight of 413.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)-N-[2-(3,4-dichlorophenyl)-2-hydroxycyclopentyl]acetamide is sourced from PubChem (CID 170578653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).