1-(2-chlorophenyl)-4-[2-[4-(hydroxymethyl)phenyl]acetyl]piperazin-2-one

C19H19ClN2O3 — CID 70714628

IUPAC1-(2-chlorophenyl)-4-[2-[4-(hydroxymethyl)phenyl]acetyl]piperazin-2-one
SMILESO=C(Cc1ccc(CO)cc1)N1CCN(c2ccccc2Cl)C(=O)C1
InChIInChI=1S/C19H19ClN2O3/c20-16-3-1-2-4-17(16)22-10-9-21(12-19(22)25)18(24)11-14-5-7-15(13-23)8-6-14/h1-8,23H,9-13H2
InChIKeyMXNYVBBTUPAKOC-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.25
Rot. Bonds4

About 1-(2-chlorophenyl)-4-[2-[4-(hydroxymethyl)phenyl]acetyl]piperazin-2-one

1-(2-chlorophenyl)-4-[2-[4-(hydroxymethyl)phenyl]acetyl]piperazin-2-one (PubChem CID 70714628) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[2-[4-(hydroxymethyl)phenyl]acetyl]piperazin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[2-[4-(hydroxymethyl)phenyl]acetyl]piperazin-2-one
PubChem CID70714628
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name1-(2-chlorophenyl)-4-[2-[4-(hydroxymethyl)phenyl]acetyl]piperazin-2-one
SMILESO=C(Cc1ccc(CO)cc1)N1CCN(c2ccccc2Cl)C(=O)C1
InChIInChI=1S/C19H19ClN2O3/c20-16-3-1-2-4-17(16)22-10-9-21(12-19(22)25)18(24)11-14-5-7-15(13-23)8-6-14/h1-8,23H,9-13H2
InChIKeyMXNYVBBTUPAKOC-UHFFFAOYSA-N
XLogP2.25
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[2-[4-(hydroxymethyl)phenyl]acetyl]piperazin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-[2-[4-(hydroxymethyl)phenyl]acetyl]piperazin-2-one (CID 70714628) is 1-(2-chlorophenyl)-4-[2-[4-(hydroxymethyl)phenyl]acetyl]piperazin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[2-[4-(hydroxymethyl)phenyl]acetyl]piperazin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-[2-[4-(hydroxymethyl)phenyl]acetyl]piperazin-2-one is O=C(Cc1ccc(CO)cc1)N1CCN(c2ccccc2Cl)C(=O)C1.
What is the InChIKey of 1-(2-chlorophenyl)-4-[2-[4-(hydroxymethyl)phenyl]acetyl]piperazin-2-one?
The InChIKey is MXNYVBBTUPAKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-16-3-1-2-4-17(16)22-10-9-21(12-19(22)25)18(24)11-14-5-7-15(13-23)8-6-14/h1-8,23H,9-13H2.
What are the key properties of 1-(2-chlorophenyl)-4-[2-[4-(hydroxymethyl)phenyl]acetyl]piperazin-2-one?
1-(2-chlorophenyl)-4-[2-[4-(hydroxymethyl)phenyl]acetyl]piperazin-2-one has a molecular weight of 358.83 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[2-[4-(hydroxymethyl)phenyl]acetyl]piperazin-2-one is sourced from PubChem (CID 70714628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).