cyclopenten-1-yl-[3-(4-naphthalen-1-ylpyrazolidin-3-yl)piperidin-1-yl]methanone

C24H29N3O — CID 74500551

IUPACcyclopenten-1-yl-[3-(4-naphthalen-1-ylpyrazolidin-3-yl)piperidin-1-yl]methanone
SMILESO=C(C1=CCCC1)N1CCCC(C2NNCC2c2cccc3ccccc23)C1
InChIInChI=1S/C24H29N3O/c28-24(18-8-1-2-9-18)27-14-6-11-19(16-27)23-22(15-25-26-23)21-13-5-10-17-7-3-4-12-20(17)21/h3-5,7-8,10,12-13,19,22-23,25-26H,1-2,6,9,11,14-16H2
InChIKeyFFALPEQYFKMKBZ-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.75
Rot. Bonds3

About cyclopenten-1-yl-[3-(4-naphthalen-1-ylpyrazolidin-3-yl)piperidin-1-yl]methanone

cyclopenten-1-yl-[3-(4-naphthalen-1-ylpyrazolidin-3-yl)piperidin-1-yl]methanone (PubChem CID 74500551) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is cyclopenten-1-yl-[3-(4-naphthalen-1-ylpyrazolidin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-[3-(4-naphthalen-1-ylpyrazolidin-3-yl)piperidin-1-yl]methanone
PubChem CID74500551
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Namecyclopenten-1-yl-[3-(4-naphthalen-1-ylpyrazolidin-3-yl)piperidin-1-yl]methanone
SMILESO=C(C1=CCCC1)N1CCCC(C2NNCC2c2cccc3ccccc23)C1
InChIInChI=1S/C24H29N3O/c28-24(18-8-1-2-9-18)27-14-6-11-19(16-27)23-22(15-25-26-23)21-13-5-10-17-7-3-4-12-20(17)21/h3-5,7-8,10,12-13,19,22-23,25-26H,1-2,6,9,11,14-16H2
InChIKeyFFALPEQYFKMKBZ-UHFFFAOYSA-N
XLogP3.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-[3-(4-naphthalen-1-ylpyrazolidin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclopenten-1-yl-[3-(4-naphthalen-1-ylpyrazolidin-3-yl)piperidin-1-yl]methanone (CID 74500551) is cyclopenten-1-yl-[3-(4-naphthalen-1-ylpyrazolidin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopenten-1-yl-[3-(4-naphthalen-1-ylpyrazolidin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopenten-1-yl-[3-(4-naphthalen-1-ylpyrazolidin-3-yl)piperidin-1-yl]methanone is O=C(C1=CCCC1)N1CCCC(C2NNCC2c2cccc3ccccc23)C1.
What is the InChIKey of cyclopenten-1-yl-[3-(4-naphthalen-1-ylpyrazolidin-3-yl)piperidin-1-yl]methanone?
The InChIKey is FFALPEQYFKMKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c28-24(18-8-1-2-9-18)27-14-6-11-19(16-27)23-22(15-25-26-23)21-13-5-10-17-7-3-4-12-20(17)21/h3-5,7-8,10,12-13,19,22-23,25-26H,1-2,6,9,11,14-16H2.
What are the key properties of cyclopenten-1-yl-[3-(4-naphthalen-1-ylpyrazolidin-3-yl)piperidin-1-yl]methanone?
cyclopenten-1-yl-[3-(4-naphthalen-1-ylpyrazolidin-3-yl)piperidin-1-yl]methanone has a molecular weight of 375.52 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-[3-(4-naphthalen-1-ylpyrazolidin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 74500551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).