1-(4-benzoylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one

C22H24ClNO3 — CID 55823679

IUPAC1-(4-benzoylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one
SMILESCc1ccc(Cl)c(OC(C)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C22H24ClNO3/c1-15-8-9-19(23)20(14-15)27-16(2)22(26)24-12-10-18(11-13-24)21(25)17-6-4-3-5-7-17/h3-9,14,16,18H,10-13H2,1-2H3
InChIKeyRUJIXLYMOUDUTG-UHFFFAOYSA-N
MW385.89 g/mol
LogP4.54
Rot. Bonds5

About 1-(4-benzoylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one

1-(4-benzoylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one (PubChem CID 55823679) has the molecular formula C22H24ClNO3 and a molecular weight of 385.89 g/mol. Its IUPAC name is 1-(4-benzoylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-benzoylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one
PubChem CID55823679
Molecular FormulaC22H24ClNO3
Molecular Weight385.89 g/mol
Exact Mass385.14
IUPAC Name1-(4-benzoylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one
SMILESCc1ccc(Cl)c(OC(C)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C22H24ClNO3/c1-15-8-9-19(23)20(14-15)27-16(2)22(26)24-12-10-18(11-13-24)21(25)17-6-4-3-5-7-17/h3-9,14,16,18H,10-13H2,1-2H3
InChIKeyRUJIXLYMOUDUTG-UHFFFAOYSA-N
XLogP4.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-aminopiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one
CID 39416084
1-(4-aminopiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one
CID 119376206
1-[2-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 54793798
2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43417497
2-[4-[(2R)-2-(2-chloro-5-methylphenoxy)propanoyl]piperazin-1-yl]acetonitrile
CID 95981302
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one;hydrochloride
CID 120815937
(2S)-1-[2-(2-chloro-5-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365437
1-[(2S)-2-(2-chloro-4-fluorophenoxy)propanoyl]piperidine-4-carboxylic acid
CID 124695068
(2R)-4-[(2S)-2-(2-chloro-5-methylphenoxy)propanoyl]morpholine-2-carboxylic acid
CID 129468435
methyl 1-[2-(2-chlorophenoxy)propanoyl]pyrrolidine-3-carboxylate
CID 112733832
2-(2-chloro-5-methylphenoxy)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 55792514
4-benzoyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-1-carboxamide
CID 42935380

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one?
The IUPAC name of 1-(4-benzoylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one (CID 55823679) is 1-(4-benzoylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one.
What is the SMILES notation for 1-(4-benzoylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one?
The canonical SMILES for 1-(4-benzoylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one is Cc1ccc(Cl)c(OC(C)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 1-(4-benzoylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one?
The InChIKey is RUJIXLYMOUDUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO3/c1-15-8-9-19(23)20(14-15)27-16(2)22(26)24-12-10-18(11-13-24)21(25)17-6-4-3-5-7-17/h3-9,14,16,18H,10-13H2,1-2H3.
What are the key properties of 1-(4-benzoylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one?
1-(4-benzoylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one has a molecular weight of 385.89 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one is sourced from PubChem (CID 55823679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).