N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide

C15H20ClFN2O2 — CID 156601731

IUPACN-[1-[(2-chloro-6-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2c(F)cccc2Cl)CC1CO
InChIInChI=1S/C15H20ClFN2O2/c1-10(21)18-15-5-6-19(7-11(15)9-20)8-12-13(16)3-2-4-14(12)17/h2-4,11,15,20H,5-9H2,1H3,(H,18,21)
InChIKeyUKDQFTLNIJHVEW-UHFFFAOYSA-N
MW314.79 g/mol
LogP1.80
Rot. Bonds4

About N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide

N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide (PubChem CID 156601731) has the molecular formula C15H20ClFN2O2 and a molecular weight of 314.79 g/mol. Its IUPAC name is N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-6-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide
PubChem CID156601731
Molecular FormulaC15H20ClFN2O2
Molecular Weight314.79 g/mol
Exact Mass314.12
IUPAC NameN-[1-[(2-chloro-6-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2c(F)cccc2Cl)CC1CO
InChIInChI=1S/C15H20ClFN2O2/c1-10(21)18-15-5-6-19(7-11(15)9-20)8-12-13(16)3-2-4-14(12)17/h2-4,11,15,20H,5-9H2,1H3,(H,18,21)
InChIKeyUKDQFTLNIJHVEW-UHFFFAOYSA-N
XLogP1.80
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorobenzyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 24748436
2-[1-(2-chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 16190289
2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-2-piperazinyl]-N-methyl-N-[2-(4-oxanyl)ethyl]acetamide
CID 24817333
N-{1-[(2-Chloro-4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-YL}cyclobutanecarboxamide
CID 110202567
5-[[1-[(2-Chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 2810692
2-[1-(2-Chloro-6-fluorobenzyl)-2-piperazinyl]ethanol
CID 2996922
N-(2-chlorobenzyl)-3-[(3R*,4R*)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]propanamide
CID 70719064
N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84528802
1-[4-[(3S,4S)-1-[(2-chloro-4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone
CID 91921237
[2-[(2-Chloro-4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921717
1-[(2-Chloro-6-fluorophenyl)methyl]-4-(hydroxymethyl)-N-methylpyrrolidine-3-carboxamide
CID 110203672
N-{1-[(2-Chloro-6-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-YL}-2-methoxyacetamide
CID 124050205

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide (CID 156601731) is N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide is CC(=O)NC1CCN(Cc2c(F)cccc2Cl)CC1CO.
What is the InChIKey of N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide?
The InChIKey is UKDQFTLNIJHVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O2/c1-10(21)18-15-5-6-19(7-11(15)9-20)8-12-13(16)3-2-4-14(12)17/h2-4,11,15,20H,5-9H2,1H3,(H,18,21).
What are the key properties of N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide?
N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide has a molecular weight of 314.79 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 156601731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).