N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]benzamide

C25H32N4O — CID 25383421

IUPACN-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(C2C3CC4CC(C3)CC2C4)CC1)c1ccccc1
InChIInChI=1S/C25H32N4O/c30-25(19-4-2-1-3-5-19)27-23-6-9-26-29(23)22-7-10-28(11-8-22)24-20-13-17-12-18(15-20)16-21(24)14-17/h1-6,9,17-18,20-22,24H,7-8,10-16H2,(H,27,30)
InChIKeyWEJOIARMFDYMNT-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.60
Rot. Bonds4

About N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]benzamide

N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 25383421) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID25383421
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC NameN-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(C2C3CC4CC(C3)CC2C4)CC1)c1ccccc1
InChIInChI=1S/C25H32N4O/c30-25(19-4-2-1-3-5-19)27-23-6-9-26-29(23)22-7-10-28(11-8-22)24-20-13-17-12-18(15-20)16-21(24)14-17/h1-6,9,17-18,20-22,24H,7-8,10-16H2,(H,27,30)
InChIKeyWEJOIARMFDYMNT-UHFFFAOYSA-N
XLogP4.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 25383421) is N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]benzamide is O=C(Nc1ccnn1C1CCN(C2C3CC4CC(C3)CC2C4)CC1)c1ccccc1.
What is the InChIKey of N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is WEJOIARMFDYMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c30-25(19-4-2-1-3-5-19)27-23-6-9-26-29(23)22-7-10-28(11-8-22)24-20-13-17-12-18(15-20)16-21(24)14-17/h1-6,9,17-18,20-22,24H,7-8,10-16H2,(H,27,30).
What are the key properties of N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 404.56 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 25383421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).