N-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide

C24H30N4O2 — CID 24790325

IUPACN-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCc1ccc(C(C)CCN2CCC(n3nccc3NC(=O)c3ccccc3)CC2)o1
InChIInChI=1S/C24H30N4O2/c1-18(22-9-8-19(2)30-22)11-15-27-16-12-21(13-17-27)28-23(10-14-25-28)26-24(29)20-6-4-3-5-7-20/h3-10,14,18,21H,11-13,15-17H2,1-2H3,(H,26,29)
InChIKeyHLUOGOYTGNFLGU-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.87
Rot. Bonds7

About N-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide

N-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24790325) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24790325
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCc1ccc(C(C)CCN2CCC(n3nccc3NC(=O)c3ccccc3)CC2)o1
InChIInChI=1S/C24H30N4O2/c1-18(22-9-8-19(2)30-22)11-15-27-16-12-21(13-17-27)28-23(10-14-25-28)26-24(29)20-6-4-3-5-7-20/h3-10,14,18,21H,11-13,15-17H2,1-2H3,(H,26,29)
InChIKeyHLUOGOYTGNFLGU-UHFFFAOYSA-N
XLogP4.87
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.87
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-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of N-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24790325) is N-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for N-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide is Cc1ccc(C(C)CCN2CCC(n3nccc3NC(=O)c3ccccc3)CC2)o1.
What is the InChIKey of N-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is HLUOGOYTGNFLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-18(22-9-8-19(2)30-22)11-15-27-16-12-21(13-17-27)28-23(10-14-25-28)26-24(29)20-6-4-3-5-7-20/h3-10,14,18,21H,11-13,15-17H2,1-2H3,(H,26,29).
What are the key properties of N-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
N-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 406.53 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24790325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).