1-[3-(piperidin-4-ylmethyl)phenyl]piperazin-2-one

C16H23N3O — CID 117436479

IUPAC1-[3-(piperidin-4-ylmethyl)phenyl]piperazin-2-one
SMILESO=C1CNCCN1c1cccc(CC2CCNCC2)c1
InChIInChI=1S/C16H23N3O/c20-16-12-18-8-9-19(16)15-3-1-2-14(11-15)10-13-4-6-17-7-5-13/h1-3,11,13,17-18H,4-10,12H2
InChIKeyAWZWNNLPXLYWFG-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.16
Rot. Bonds3

About 1-[3-(piperidin-4-ylmethyl)phenyl]piperazin-2-one

1-[3-(piperidin-4-ylmethyl)phenyl]piperazin-2-one (PubChem CID 117436479) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[3-(piperidin-4-ylmethyl)phenyl]piperazin-2-one.

Molecular Properties

Compound Name1-[3-(piperidin-4-ylmethyl)phenyl]piperazin-2-one
PubChem CID117436479
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[3-(piperidin-4-ylmethyl)phenyl]piperazin-2-one
SMILESO=C1CNCCN1c1cccc(CC2CCNCC2)c1
InChIInChI=1S/C16H23N3O/c20-16-12-18-8-9-19(16)15-3-1-2-14(11-15)10-13-4-6-17-7-5-13/h1-3,11,13,17-18H,4-10,12H2
InChIKeyAWZWNNLPXLYWFG-UHFFFAOYSA-N
XLogP1.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(piperidin-4-ylmethyl)phenyl]piperazin-2-one?
The IUPAC name of 1-[3-(piperidin-4-ylmethyl)phenyl]piperazin-2-one (CID 117436479) is 1-[3-(piperidin-4-ylmethyl)phenyl]piperazin-2-one.
What is the SMILES notation for 1-[3-(piperidin-4-ylmethyl)phenyl]piperazin-2-one?
The canonical SMILES for 1-[3-(piperidin-4-ylmethyl)phenyl]piperazin-2-one is O=C1CNCCN1c1cccc(CC2CCNCC2)c1.
What is the InChIKey of 1-[3-(piperidin-4-ylmethyl)phenyl]piperazin-2-one?
The InChIKey is AWZWNNLPXLYWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-16-12-18-8-9-19(16)15-3-1-2-14(11-15)10-13-4-6-17-7-5-13/h1-3,11,13,17-18H,4-10,12H2.
What are the key properties of 1-[3-(piperidin-4-ylmethyl)phenyl]piperazin-2-one?
1-[3-(piperidin-4-ylmethyl)phenyl]piperazin-2-one has a molecular weight of 273.38 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(piperidin-4-ylmethyl)phenyl]piperazin-2-one is sourced from PubChem (CID 117436479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).