2-[4-[(4-chlorophenoxy)methyl]-1-(4-ethylbenzoyl)piperidin-4-yl]acetamide

C23H27ClN2O3 — CID 110080046

IUPAC2-[4-[(4-chlorophenoxy)methyl]-1-(4-ethylbenzoyl)piperidin-4-yl]acetamide
SMILESCCc1ccc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(N)=O)CC2)cc1
InChIInChI=1S/C23H27ClN2O3/c1-2-17-3-5-18(6-4-17)22(28)26-13-11-23(12-14-26,15-21(25)27)16-29-20-9-7-19(24)8-10-20/h3-10H,2,11-16H2,1H3,(H2,25,27)
InChIKeyVADCGMQHBIIOIR-UHFFFAOYSA-N
MW414.93 g/mol
LogP4.08
Rot. Bonds7

About 2-[4-[(4-chlorophenoxy)methyl]-1-(4-ethylbenzoyl)piperidin-4-yl]acetamide

2-[4-[(4-chlorophenoxy)methyl]-1-(4-ethylbenzoyl)piperidin-4-yl]acetamide (PubChem CID 110080046) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenoxy)methyl]-1-(4-ethylbenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenoxy)methyl]-1-(4-ethylbenzoyl)piperidin-4-yl]acetamide
PubChem CID110080046
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC Name2-[4-[(4-chlorophenoxy)methyl]-1-(4-ethylbenzoyl)piperidin-4-yl]acetamide
SMILESCCc1ccc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(N)=O)CC2)cc1
InChIInChI=1S/C23H27ClN2O3/c1-2-17-3-5-18(6-4-17)22(28)26-13-11-23(12-14-26,15-21(25)27)16-29-20-9-7-19(24)8-10-20/h3-10H,2,11-16H2,1H3,(H2,25,27)
InChIKeyVADCGMQHBIIOIR-UHFFFAOYSA-N
XLogP4.08
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]acetamide
CID 110080035
2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]acetamide
CID 110080510
2-[1-(4-ethylbenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 110080380
2-[4-[(4-chlorophenoxy)methyl]-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetamide
CID 110080005
2-[4-[(4-chlorophenoxy)methyl]-1-(4-fluorobenzoyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110080101
2-[4-[(4-chloro-3-methylphenoxy)methyl]-1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 110080789
(4-ethylphenyl)-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]methanone
CID 155991710
2-[1-(2,6-dichlorobenzoyl)-4-(phenoxymethyl)piperidin-4-yl]acetamide
CID 155990334
2-[4-[(4-chlorophenoxy)methyl]-1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 110080012
2-[1-(3-chlorobenzoyl)-4-[(4-chlorophenoxy)methyl]piperidin-4-yl]-1-piperidin-1-ylethanone
CID 110080610
2-[4-[(3-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-4-yl]acetamide
CID 110079867
2-[(3R)-1-(3-chloro-4-fluorobenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 124944696

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenoxy)methyl]-1-(4-ethylbenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[4-[(4-chlorophenoxy)methyl]-1-(4-ethylbenzoyl)piperidin-4-yl]acetamide (CID 110080046) is 2-[4-[(4-chlorophenoxy)methyl]-1-(4-ethylbenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenoxy)methyl]-1-(4-ethylbenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[4-[(4-chlorophenoxy)methyl]-1-(4-ethylbenzoyl)piperidin-4-yl]acetamide is CCc1ccc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(N)=O)CC2)cc1.
What is the InChIKey of 2-[4-[(4-chlorophenoxy)methyl]-1-(4-ethylbenzoyl)piperidin-4-yl]acetamide?
The InChIKey is VADCGMQHBIIOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-2-17-3-5-18(6-4-17)22(28)26-13-11-23(12-14-26,15-21(25)27)16-29-20-9-7-19(24)8-10-20/h3-10H,2,11-16H2,1H3,(H2,25,27).
What are the key properties of 2-[4-[(4-chlorophenoxy)methyl]-1-(4-ethylbenzoyl)piperidin-4-yl]acetamide?
2-[4-[(4-chlorophenoxy)methyl]-1-(4-ethylbenzoyl)piperidin-4-yl]acetamide has a molecular weight of 414.93 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenoxy)methyl]-1-(4-ethylbenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 110080046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).