(2-methylpiperidin-1-yl)-(5-naphthalen-1-ylpyrazolidin-3-yl)methanone

C20H25N3O — CID 75605825

IUPAC(2-methylpiperidin-1-yl)-(5-naphthalen-1-ylpyrazolidin-3-yl)methanone
SMILESCC1CCCCN1C(=O)C1CC(c2cccc3ccccc23)NN1
InChIInChI=1S/C20H25N3O/c1-14-7-4-5-12-23(14)20(24)19-13-18(21-22-19)17-11-6-9-15-8-2-3-10-16(15)17/h2-3,6,8-11,14,18-19,21-22H,4-5,7,12-13H2,1H3
InChIKeyYXKZHFUEHCYNRW-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.15
Rot. Bonds2

About (2-methylpiperidin-1-yl)-(5-naphthalen-1-ylpyrazolidin-3-yl)methanone

(2-methylpiperidin-1-yl)-(5-naphthalen-1-ylpyrazolidin-3-yl)methanone (PubChem CID 75605825) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (2-methylpiperidin-1-yl)-(5-naphthalen-1-ylpyrazolidin-3-yl)methanone.

Molecular Properties

Compound Name(2-methylpiperidin-1-yl)-(5-naphthalen-1-ylpyrazolidin-3-yl)methanone
PubChem CID75605825
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(2-methylpiperidin-1-yl)-(5-naphthalen-1-ylpyrazolidin-3-yl)methanone
SMILESCC1CCCCN1C(=O)C1CC(c2cccc3ccccc23)NN1
InChIInChI=1S/C20H25N3O/c1-14-7-4-5-12-23(14)20(24)19-13-18(21-22-19)17-11-6-9-15-8-2-3-10-16(15)17/h2-3,6,8-11,14,18-19,21-22H,4-5,7,12-13H2,1H3
InChIKeyYXKZHFUEHCYNRW-UHFFFAOYSA-N
XLogP3.15
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-1-yl)-(5-naphthalen-1-ylpyrazolidin-3-yl)methanone?
The IUPAC name of (2-methylpiperidin-1-yl)-(5-naphthalen-1-ylpyrazolidin-3-yl)methanone (CID 75605825) is (2-methylpiperidin-1-yl)-(5-naphthalen-1-ylpyrazolidin-3-yl)methanone.
What is the SMILES notation for (2-methylpiperidin-1-yl)-(5-naphthalen-1-ylpyrazolidin-3-yl)methanone?
The canonical SMILES for (2-methylpiperidin-1-yl)-(5-naphthalen-1-ylpyrazolidin-3-yl)methanone is CC1CCCCN1C(=O)C1CC(c2cccc3ccccc23)NN1.
What is the InChIKey of (2-methylpiperidin-1-yl)-(5-naphthalen-1-ylpyrazolidin-3-yl)methanone?
The InChIKey is YXKZHFUEHCYNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14-7-4-5-12-23(14)20(24)19-13-18(21-22-19)17-11-6-9-15-8-2-3-10-16(15)17/h2-3,6,8-11,14,18-19,21-22H,4-5,7,12-13H2,1H3.
What are the key properties of (2-methylpiperidin-1-yl)-(5-naphthalen-1-ylpyrazolidin-3-yl)methanone?
(2-methylpiperidin-1-yl)-(5-naphthalen-1-ylpyrazolidin-3-yl)methanone has a molecular weight of 323.44 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-1-yl)-(5-naphthalen-1-ylpyrazolidin-3-yl)methanone is sourced from PubChem (CID 75605825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).