N-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

C24H34N4O2 — CID 24790322

IUPACN-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(CCCC2CCCC2)CC1
InChIInChI=1S/C24H34N4O2/c1-30-22-11-5-4-10-21(22)24(29)26-23-12-15-25-28(23)20-13-17-27(18-14-20)16-6-9-19-7-2-3-8-19/h4-5,10-12,15,19-20H,2-3,6-9,13-14,16-18H2,1H3,(H,26,29)
InChIKeyXFAOFFOCJDKJPH-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.75
Rot. Bonds8

About N-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

N-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (PubChem CID 24790322) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
PubChem CID24790322
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC NameN-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(CCCC2CCCC2)CC1
InChIInChI=1S/C24H34N4O2/c1-30-22-11-5-4-10-21(22)24(29)26-23-12-15-25-28(23)20-13-17-27(18-14-20)16-6-9-19-7-2-3-8-19/h4-5,10-12,15,19-20H,2-3,6-9,13-14,16-18H2,1H3,(H,26,29)
InChIKeyXFAOFFOCJDKJPH-UHFFFAOYSA-N
XLogP4.75
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (CID 24790322) is N-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccnn1C1CCN(CCCC2CCCC2)CC1.
What is the InChIKey of N-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The InChIKey is XFAOFFOCJDKJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-30-22-11-5-4-10-21(22)24(29)26-23-12-15-25-28(23)20-13-17-27(18-14-20)16-6-9-19-7-2-3-8-19/h4-5,10-12,15,19-20H,2-3,6-9,13-14,16-18H2,1H3,(H,26,29).
What are the key properties of N-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
N-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide has a molecular weight of 410.56 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 24790322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).