1-[4-(4-chlorophenyl)-3-(methoxymethyl)benzoyl]piperidin-4-one

C20H20ClNO3 — CID 59165599

IUPAC1-[4-(4-chlorophenyl)-3-(methoxymethyl)benzoyl]piperidin-4-one
SMILESCOCc1cc(C(=O)N2CCC(=O)CC2)ccc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClNO3/c1-25-13-16-12-15(20(24)22-10-8-18(23)9-11-22)4-7-19(16)14-2-5-17(21)6-3-14/h2-7,12H,8-11,13H2,1H3
InChIKeyDWSCPQAWDVLHRY-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.96
Rot. Bonds4

About 1-[4-(4-chlorophenyl)-3-(methoxymethyl)benzoyl]piperidin-4-one

1-[4-(4-chlorophenyl)-3-(methoxymethyl)benzoyl]piperidin-4-one (PubChem CID 59165599) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-3-(methoxymethyl)benzoyl]piperidin-4-one.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-3-(methoxymethyl)benzoyl]piperidin-4-one
PubChem CID59165599
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC Name1-[4-(4-chlorophenyl)-3-(methoxymethyl)benzoyl]piperidin-4-one
SMILESCOCc1cc(C(=O)N2CCC(=O)CC2)ccc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClNO3/c1-25-13-16-12-15(20(24)22-10-8-18(23)9-11-22)4-7-19(16)14-2-5-17(21)6-3-14/h2-7,12H,8-11,13H2,1H3
InChIKeyDWSCPQAWDVLHRY-UHFFFAOYSA-N
XLogP3.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-3-(methoxymethyl)benzoyl]piperidin-4-one?
The IUPAC name of 1-[4-(4-chlorophenyl)-3-(methoxymethyl)benzoyl]piperidin-4-one (CID 59165599) is 1-[4-(4-chlorophenyl)-3-(methoxymethyl)benzoyl]piperidin-4-one.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-3-(methoxymethyl)benzoyl]piperidin-4-one?
The canonical SMILES for 1-[4-(4-chlorophenyl)-3-(methoxymethyl)benzoyl]piperidin-4-one is COCc1cc(C(=O)N2CCC(=O)CC2)ccc1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-3-(methoxymethyl)benzoyl]piperidin-4-one?
The InChIKey is DWSCPQAWDVLHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO3/c1-25-13-16-12-15(20(24)22-10-8-18(23)9-11-22)4-7-19(16)14-2-5-17(21)6-3-14/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[4-(4-chlorophenyl)-3-(methoxymethyl)benzoyl]piperidin-4-one?
1-[4-(4-chlorophenyl)-3-(methoxymethyl)benzoyl]piperidin-4-one has a molecular weight of 357.84 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-3-(methoxymethyl)benzoyl]piperidin-4-one is sourced from PubChem (CID 59165599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).