N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide

C21H25ClN2O3 — CID 24791479

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C21H25ClN2O3/c1-26-19-8-10-20(11-9-19)27-15-21(25)23-18-3-2-12-24(14-18)13-16-4-6-17(22)7-5-16/h4-11,18H,2-3,12-15H2,1H3,(H,23,25)
InChIKeyAGZPBADSPZYSFK-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.51
Rot. Bonds7

About N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide

N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 24791479) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide
PubChem CID24791479
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C21H25ClN2O3/c1-26-19-8-10-20(11-9-19)27-15-21(25)23-18-3-2-12-24(14-18)13-16-4-6-17(22)7-5-16/h4-11,18H,2-3,12-15H2,1H3,(H,23,25)
InChIKeyAGZPBADSPZYSFK-UHFFFAOYSA-N
XLogP3.51
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide
CID 113239292
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide
CID 25325208
N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 25447187
N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 51636347
2-(4-chlorophenoxy)-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]acetamide
CID 99741177
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide
CID 54551711
N-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide
CID 55644626
2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide
CID 28957064
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 46596758
methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]acetate
CID 83982541

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide (CID 24791479) is N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is AGZPBADSPZYSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-26-19-8-10-20(11-9-19)27-15-21(25)23-18-3-2-12-24(14-18)13-16-4-6-17(22)7-5-16/h4-11,18H,2-3,12-15H2,1H3,(H,23,25).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 388.90 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 24791479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).