2-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenoxy]acetamide

C21H23ClN2O4 — CID 67168923

IUPAC2-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenoxy]acetamide
SMILESCc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1OCC(N)=O
InChIInChI=1S/C21H23ClN2O4/c1-14-2-3-15(12-19(14)27-13-20(23)25)21(26)24-10-8-18(9-11-24)28-17-6-4-16(22)5-7-17/h2-7,12,18H,8-11,13H2,1H3,(H2,23,25)
InChIKeyDJFHIPFTSJHXJI-UHFFFAOYSA-N
MW402.88 g/mol
LogP3.20
Rot. Bonds6

About 2-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenoxy]acetamide

2-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenoxy]acetamide (PubChem CID 67168923) has the molecular formula C21H23ClN2O4 and a molecular weight of 402.88 g/mol. Its IUPAC name is 2-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenoxy]acetamide.

Molecular Properties

Compound Name2-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenoxy]acetamide
PubChem CID67168923
Molecular FormulaC21H23ClN2O4
Molecular Weight402.88 g/mol
Exact Mass402.13
IUPAC Name2-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenoxy]acetamide
SMILESCc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1OCC(N)=O
InChIInChI=1S/C21H23ClN2O4/c1-14-2-3-15(12-19(14)27-13-20(23)25)21(26)24-10-8-18(9-11-24)28-17-6-4-16(22)5-7-17/h2-7,12,18H,8-11,13H2,1H3,(H2,23,25)
InChIKeyDJFHIPFTSJHXJI-UHFFFAOYSA-N
XLogP3.20
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-chlorophenoxy)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 67170194
N-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide
CID 166281479
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
2-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]acetonitrile
CID 166281533
2-(5-chloro-2-methylphenoxy)acetamide
CID 65439903
[4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 117073747
[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 67169003
[4-(4-chlorophenoxy)piperidin-1-yl]-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]methanone
CID 166338943
(3,4-dimethylphenyl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566313
[4-(4-chlorophenoxy)piperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 67168433
[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 84561785

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenoxy]acetamide?
The IUPAC name of 2-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenoxy]acetamide (CID 67168923) is 2-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenoxy]acetamide.
What is the SMILES notation for 2-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenoxy]acetamide?
The canonical SMILES for 2-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenoxy]acetamide is Cc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1OCC(N)=O.
What is the InChIKey of 2-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenoxy]acetamide?
The InChIKey is DJFHIPFTSJHXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4/c1-14-2-3-15(12-19(14)27-13-20(23)25)21(26)24-10-8-18(9-11-24)28-17-6-4-16(22)5-7-17/h2-7,12,18H,8-11,13H2,1H3,(H2,23,25).
What are the key properties of 2-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenoxy]acetamide?
2-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenoxy]acetamide has a molecular weight of 402.88 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenoxy]acetamide is sourced from PubChem (CID 67168923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).