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

C17H25N3O — CID 117464076

IUPAC4-methyl-1-[3-(piperidin-2-ylmethyl)phenyl]piperazin-2-one
SMILESCN1CCN(c2cccc(CC3CCCCN3)c2)C(=O)C1
InChIInChI=1S/C17H25N3O/c1-19-9-10-20(17(21)13-19)16-7-4-5-14(12-16)11-15-6-2-3-8-18-15/h4-5,7,12,15,18H,2-3,6,8-11,13H2,1H3
InChIKeyGHXSSYASLYHCSO-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.65
Rot. Bonds3

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

4-methyl-1-[3-(piperidin-2-ylmethyl)phenyl]piperazin-2-one (PubChem CID 117464076) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-methyl-1-[3-(piperidin-2-ylmethyl)phenyl]piperazin-2-one.

Molecular Properties

Compound Name4-methyl-1-[3-(piperidin-2-ylmethyl)phenyl]piperazin-2-one
PubChem CID117464076
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-methyl-1-[3-(piperidin-2-ylmethyl)phenyl]piperazin-2-one
SMILESCN1CCN(c2cccc(CC3CCCCN3)c2)C(=O)C1
InChIInChI=1S/C17H25N3O/c1-19-9-10-20(17(21)13-19)16-7-4-5-14(12-16)11-15-6-2-3-8-18-15/h4-5,7,12,15,18H,2-3,6,8-11,13H2,1H3
InChIKeyGHXSSYASLYHCSO-UHFFFAOYSA-N
XLogP1.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[4-(pyrrolidin-2-ylmethyl)phenyl]piperazin-2-one
CID 117436449
1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazolidin-3-one
CID 117365583
1,4-dimethyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazol-2-one
CID 117431510
2-[(3-methylsulfanylphenyl)methyl]piperidine
CID 117317206
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
1-methyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]piperidine
CID 116988811
1-methyl-6-(piperidin-2-ylmethyl)-3,4-dihydroquinolin-2-one
CID 82500114
1-(3-chlorophenyl)-3-(piperidin-2-ylmethyl)imidazolidin-2-one
CID 46881463
1-[3-(piperidin-2-ylmethyl)phenyl]ethanol
CID 117118064
N-[3-(azepan-2-ylmethyl)phenyl]acetamide
CID 70141371
1-methyl-6-[3-(piperidin-2-ylmethyl)phenyl]indazole
CID 166362211

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-(piperidin-2-ylmethyl)phenyl]piperazin-2-one?
The IUPAC name of 4-methyl-1-[3-(piperidin-2-ylmethyl)phenyl]piperazin-2-one (CID 117464076) is 4-methyl-1-[3-(piperidin-2-ylmethyl)phenyl]piperazin-2-one.
What is the SMILES notation for 4-methyl-1-[3-(piperidin-2-ylmethyl)phenyl]piperazin-2-one?
The canonical SMILES for 4-methyl-1-[3-(piperidin-2-ylmethyl)phenyl]piperazin-2-one is CN1CCN(c2cccc(CC3CCCCN3)c2)C(=O)C1.
What is the InChIKey of 4-methyl-1-[3-(piperidin-2-ylmethyl)phenyl]piperazin-2-one?
The InChIKey is GHXSSYASLYHCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19-9-10-20(17(21)13-19)16-7-4-5-14(12-16)11-15-6-2-3-8-18-15/h4-5,7,12,15,18H,2-3,6,8-11,13H2,1H3.
What are the key properties of 4-methyl-1-[3-(piperidin-2-ylmethyl)phenyl]piperazin-2-one?
4-methyl-1-[3-(piperidin-2-ylmethyl)phenyl]piperazin-2-one has a molecular weight of 287.41 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-(piperidin-2-ylmethyl)phenyl]piperazin-2-one is sourced from PubChem (CID 117464076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).