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

C25H32N4O3 — CID 24793127

IUPAC2-methoxy-N-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(CCC(C)c2ccc(C)o2)CC1
InChIInChI=1S/C25H32N4O3/c1-18(22-9-8-19(2)32-22)11-15-28-16-12-20(13-17-28)29-24(10-14-26-29)27-25(30)21-6-4-5-7-23(21)31-3/h4-10,14,18,20H,11-13,15-17H2,1-3H3,(H,27,30)
InChIKeyLDEYAFBKDNJFOY-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.88
Rot. Bonds8

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

2-methoxy-N-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24793127) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-methoxy-N-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24793127
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name2-methoxy-N-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(CCC(C)c2ccc(C)o2)CC1
InChIInChI=1S/C25H32N4O3/c1-18(22-9-8-19(2)32-22)11-15-28-16-12-20(13-17-28)29-24(10-14-26-29)27-25(30)21-6-4-5-7-23(21)31-3/h4-10,14,18,20H,11-13,15-17H2,1-3H3,(H,27,30)
InChIKeyLDEYAFBKDNJFOY-UHFFFAOYSA-N
XLogP4.88
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24793127) is 2-methoxy-N-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide is COc1ccccc1C(=O)Nc1ccnn1C1CCN(CCC(C)c2ccc(C)o2)CC1.
What is the InChIKey of 2-methoxy-N-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is LDEYAFBKDNJFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-18(22-9-8-19(2)32-22)11-15-28-16-12-20(13-17-28)29-24(10-14-26-29)27-25(30)21-6-4-5-7-23(21)31-3/h4-10,14,18,20H,11-13,15-17H2,1-3H3,(H,27,30).
What are the key properties of 2-methoxy-N-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
2-methoxy-N-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 436.56 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24793127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).