[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone

C19H17Cl2NO2 — CID 17449620

IUPAC[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C19H17Cl2NO2/c20-15-6-7-17(21)16(12-15)19(24)22-10-8-14(9-11-22)18(23)13-4-2-1-3-5-13/h1-7,12,14H,8-11H2
InChIKeyXAKTUAXNOJJLLB-UHFFFAOYSA-N
MW362.26 g/mol
LogP4.73
Rot. Bonds3

About [1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone

[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone (PubChem CID 17449620) has the molecular formula C19H17Cl2NO2 and a molecular weight of 362.26 g/mol. Its IUPAC name is [1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone
PubChem CID17449620
Molecular FormulaC19H17Cl2NO2
Molecular Weight362.26 g/mol
Exact Mass361.06
IUPAC Name[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C19H17Cl2NO2/c20-15-6-7-17(21)16(12-15)19(24)22-10-8-14(9-11-22)18(23)13-4-2-1-3-5-13/h1-7,12,14H,8-11H2
InChIKeyXAKTUAXNOJJLLB-UHFFFAOYSA-N
XLogP4.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone (CID 17449620) is [1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone is O=C(c1ccccc1)C1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of [1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone?
The InChIKey is XAKTUAXNOJJLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO2/c20-15-6-7-17(21)16(12-15)19(24)22-10-8-14(9-11-22)18(23)13-4-2-1-3-5-13/h1-7,12,14H,8-11H2.
What are the key properties of [1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone?
[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone has a molecular weight of 362.26 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 17449620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).