[1-(4-chlorobenzoyl)piperidin-4-yl]-phenylmethanone

C19H18ClNO2 — CID 2740738

IUPAC[1-(4-chlorobenzoyl)piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H18ClNO2/c20-17-8-6-16(7-9-17)19(23)21-12-10-15(11-13-21)18(22)14-4-2-1-3-5-14/h1-9,15H,10-13H2
InChIKeyRARQUIVHAYUUJU-UHFFFAOYSA-N
MW327.81 g/mol
LogP4.08
Rot. Bonds3

About [1-(4-chlorobenzoyl)piperidin-4-yl]-phenylmethanone

[1-(4-chlorobenzoyl)piperidin-4-yl]-phenylmethanone (PubChem CID 2740738) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is [1-(4-chlorobenzoyl)piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(4-chlorobenzoyl)piperidin-4-yl]-phenylmethanone
PubChem CID2740738
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Name[1-(4-chlorobenzoyl)piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H18ClNO2/c20-17-8-6-16(7-9-17)19(23)21-12-10-15(11-13-21)18(22)14-4-2-1-3-5-14/h1-9,15H,10-13H2
InChIKeyRARQUIVHAYUUJU-UHFFFAOYSA-N
XLogP4.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorobenzoyl)piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-(4-chlorobenzoyl)piperidin-4-yl]-phenylmethanone (CID 2740738) is [1-(4-chlorobenzoyl)piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-(4-chlorobenzoyl)piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-(4-chlorobenzoyl)piperidin-4-yl]-phenylmethanone is O=C(c1ccccc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(4-chlorobenzoyl)piperidin-4-yl]-phenylmethanone?
The InChIKey is RARQUIVHAYUUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2/c20-17-8-6-16(7-9-17)19(23)21-12-10-15(11-13-21)18(22)14-4-2-1-3-5-14/h1-9,15H,10-13H2.
What are the key properties of [1-(4-chlorobenzoyl)piperidin-4-yl]-phenylmethanone?
[1-(4-chlorobenzoyl)piperidin-4-yl]-phenylmethanone has a molecular weight of 327.81 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorobenzoyl)piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 2740738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).