4-methyl-1-[4-(pyrrolidin-2-ylmethyl)phenyl]piperazin-2-one

C16H23N3O — CID 117436449

IUPAC4-methyl-1-[4-(pyrrolidin-2-ylmethyl)phenyl]piperazin-2-one
SMILESCN1CCN(c2ccc(CC3CCCN3)cc2)C(=O)C1
InChIInChI=1S/C16H23N3O/c1-18-9-10-19(16(20)12-18)15-6-4-13(5-7-15)11-14-3-2-8-17-14/h4-7,14,17H,2-3,8-12H2,1H3
InChIKeyKFMIVNNDDORCPG-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.26
Rot. Bonds3

About 4-methyl-1-[4-(pyrrolidin-2-ylmethyl)phenyl]piperazin-2-one

4-methyl-1-[4-(pyrrolidin-2-ylmethyl)phenyl]piperazin-2-one (PubChem CID 117436449) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-methyl-1-[4-(pyrrolidin-2-ylmethyl)phenyl]piperazin-2-one.

Molecular Properties

Compound Name4-methyl-1-[4-(pyrrolidin-2-ylmethyl)phenyl]piperazin-2-one
PubChem CID117436449
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-methyl-1-[4-(pyrrolidin-2-ylmethyl)phenyl]piperazin-2-one
SMILESCN1CCN(c2ccc(CC3CCCN3)cc2)C(=O)C1
InChIInChI=1S/C16H23N3O/c1-18-9-10-19(16(20)12-18)15-6-4-13(5-7-15)11-14-3-2-8-17-14/h4-7,14,17H,2-3,8-12H2,1H3
InChIKeyKFMIVNNDDORCPG-UHFFFAOYSA-N
XLogP1.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[3-(piperidin-2-ylmethyl)phenyl]piperazin-2-one
CID 117464076
1-methyl-4-[[4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperazine
CID 117436736
4-[4-(pyrrolidin-2-ylmethyl)phenyl]piperazine-2,6-dione
CID 117436119
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
ethane;[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]methyl hypofluorite
CID 153379478
1-[4-(piperidin-2-ylmethyl)phenyl]pyrazolidin-3-one
CID 117402493
2,2-dimethyl-3-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]propanoic acid
CID 117469217
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-[[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]methyl]pyrrolidine
CID 117442925
2-[[4-(2-fluoroethyl)phenyl]methyl]pyrrolidine
CID 117296650
2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine
CID 178108165

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(pyrrolidin-2-ylmethyl)phenyl]piperazin-2-one?
The IUPAC name of 4-methyl-1-[4-(pyrrolidin-2-ylmethyl)phenyl]piperazin-2-one (CID 117436449) is 4-methyl-1-[4-(pyrrolidin-2-ylmethyl)phenyl]piperazin-2-one.
What is the SMILES notation for 4-methyl-1-[4-(pyrrolidin-2-ylmethyl)phenyl]piperazin-2-one?
The canonical SMILES for 4-methyl-1-[4-(pyrrolidin-2-ylmethyl)phenyl]piperazin-2-one is CN1CCN(c2ccc(CC3CCCN3)cc2)C(=O)C1.
What is the InChIKey of 4-methyl-1-[4-(pyrrolidin-2-ylmethyl)phenyl]piperazin-2-one?
The InChIKey is KFMIVNNDDORCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-18-9-10-19(16(20)12-18)15-6-4-13(5-7-15)11-14-3-2-8-17-14/h4-7,14,17H,2-3,8-12H2,1H3.
What are the key properties of 4-methyl-1-[4-(pyrrolidin-2-ylmethyl)phenyl]piperazin-2-one?
4-methyl-1-[4-(pyrrolidin-2-ylmethyl)phenyl]piperazin-2-one has a molecular weight of 273.38 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(pyrrolidin-2-ylmethyl)phenyl]piperazin-2-one is sourced from PubChem (CID 117436449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).