1-methyl-3-(N-methylanilino)-3-phenylpiperazin-2-one

C18H21N3O — CID 118954598

IUPAC1-methyl-3-(N-methylanilino)-3-phenylpiperazin-2-one
SMILESCN1CCNC(c2ccccc2)(N(C)c2ccccc2)C1=O
InChIInChI=1S/C18H21N3O/c1-20-14-13-19-18(17(20)22,15-9-5-3-6-10-15)21(2)16-11-7-4-8-12-16/h3-12,19H,13-14H2,1-2H3
InChIKeyPDGNNHRSWFXMQY-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.04
Rot. Bonds3

About 1-methyl-3-(N-methylanilino)-3-phenylpiperazin-2-one

1-methyl-3-(N-methylanilino)-3-phenylpiperazin-2-one (PubChem CID 118954598) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-methyl-3-(N-methylanilino)-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name1-methyl-3-(N-methylanilino)-3-phenylpiperazin-2-one
PubChem CID118954598
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-methyl-3-(N-methylanilino)-3-phenylpiperazin-2-one
SMILESCN1CCNC(c2ccccc2)(N(C)c2ccccc2)C1=O
InChIInChI=1S/C18H21N3O/c1-20-14-13-19-18(17(20)22,15-9-5-3-6-10-15)21(2)16-11-7-4-8-12-16/h3-12,19H,13-14H2,1-2H3
InChIKeyPDGNNHRSWFXMQY-UHFFFAOYSA-N
XLogP2.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(N-methylanilino)-3-phenylpiperazin-2-one?
The IUPAC name of 1-methyl-3-(N-methylanilino)-3-phenylpiperazin-2-one (CID 118954598) is 1-methyl-3-(N-methylanilino)-3-phenylpiperazin-2-one.
What is the SMILES notation for 1-methyl-3-(N-methylanilino)-3-phenylpiperazin-2-one?
The canonical SMILES for 1-methyl-3-(N-methylanilino)-3-phenylpiperazin-2-one is CN1CCNC(c2ccccc2)(N(C)c2ccccc2)C1=O.
What is the InChIKey of 1-methyl-3-(N-methylanilino)-3-phenylpiperazin-2-one?
The InChIKey is PDGNNHRSWFXMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-20-14-13-19-18(17(20)22,15-9-5-3-6-10-15)21(2)16-11-7-4-8-12-16/h3-12,19H,13-14H2,1-2H3.
What are the key properties of 1-methyl-3-(N-methylanilino)-3-phenylpiperazin-2-one?
1-methyl-3-(N-methylanilino)-3-phenylpiperazin-2-one has a molecular weight of 295.39 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(N-methylanilino)-3-phenylpiperazin-2-one is sourced from PubChem (CID 118954598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).