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

C15H21N3O — CID 117402493

IUPAC1-[4-(piperidin-2-ylmethyl)phenyl]pyrazolidin-3-one
SMILESO=C1CCN(c2ccc(CC3CCCCN3)cc2)N1
InChIInChI=1S/C15H21N3O/c19-15-8-10-18(17-15)14-6-4-12(5-7-14)11-13-3-1-2-9-16-13/h4-7,13,16H,1-3,8-11H2,(H,17,19)
InChIKeyCGGYATZMJWXOFB-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.61
Rot. Bonds3

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

1-[4-(piperidin-2-ylmethyl)phenyl]pyrazolidin-3-one (PubChem CID 117402493) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[4-(piperidin-2-ylmethyl)phenyl]pyrazolidin-3-one.

Molecular Properties

Compound Name1-[4-(piperidin-2-ylmethyl)phenyl]pyrazolidin-3-one
PubChem CID117402493
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[4-(piperidin-2-ylmethyl)phenyl]pyrazolidin-3-one
SMILESO=C1CCN(c2ccc(CC3CCCCN3)cc2)N1
InChIInChI=1S/C15H21N3O/c19-15-8-10-18(17-15)14-6-4-12(5-7-14)11-13-3-1-2-9-16-13/h4-7,13,16H,1-3,8-11H2,(H,17,19)
InChIKeyCGGYATZMJWXOFB-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazolidin-3-one
CID 117365583
4-[4-(pyrrolidin-2-ylmethyl)phenyl]piperazine-2,6-dione
CID 117436119
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
1-(piperidin-2-ylmethyl)pyrazolidin-3-one
CID 105440737
2-[(4-cyclopropylphenyl)methyl]piperidine
CID 117307185
4-methyl-1-[4-(pyrrolidin-2-ylmethyl)phenyl]piperazin-2-one
CID 117436449
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine
CID 117360963
1-[4-(piperidin-2-ylmethyl)phenyl]ethane-1,2-diol
CID 117342823
2-[(4-butan-2-ylphenyl)methyl]piperidine
CID 82341703
1-methyl-4-[[4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperazine
CID 117436736
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
1-(pyrrolidin-2-ylmethyl)pyrazolidin-3-one
CID 105434202

Frequently Asked Questions

What is the IUPAC name of 1-[4-(piperidin-2-ylmethyl)phenyl]pyrazolidin-3-one?
The IUPAC name of 1-[4-(piperidin-2-ylmethyl)phenyl]pyrazolidin-3-one (CID 117402493) is 1-[4-(piperidin-2-ylmethyl)phenyl]pyrazolidin-3-one.
What is the SMILES notation for 1-[4-(piperidin-2-ylmethyl)phenyl]pyrazolidin-3-one?
The canonical SMILES for 1-[4-(piperidin-2-ylmethyl)phenyl]pyrazolidin-3-one is O=C1CCN(c2ccc(CC3CCCCN3)cc2)N1.
What is the InChIKey of 1-[4-(piperidin-2-ylmethyl)phenyl]pyrazolidin-3-one?
The InChIKey is CGGYATZMJWXOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c19-15-8-10-18(17-15)14-6-4-12(5-7-14)11-13-3-1-2-9-16-13/h4-7,13,16H,1-3,8-11H2,(H,17,19).
What are the key properties of 1-[4-(piperidin-2-ylmethyl)phenyl]pyrazolidin-3-one?
1-[4-(piperidin-2-ylmethyl)phenyl]pyrazolidin-3-one has a molecular weight of 259.35 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(piperidin-2-ylmethyl)phenyl]pyrazolidin-3-one is sourced from PubChem (CID 117402493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).