1-adamantyl-(4-methylpiperazin-1-yl)methanone

C16H26N2O — CID 2827468

IUPAC1-adamantyl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C16H26N2O/c1-17-2-4-18(5-3-17)15(19)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,2-11H2,1H3
InChIKeyNINBPJOROIHPNH-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.98
Rot. Bonds1

About 1-adamantyl-(4-methylpiperazin-1-yl)methanone

1-adamantyl-(4-methylpiperazin-1-yl)methanone (PubChem CID 2827468) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-adamantyl-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1-adamantyl-(4-methylpiperazin-1-yl)methanone
PubChem CID2827468
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-adamantyl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C16H26N2O/c1-17-2-4-18(5-3-17)15(19)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,2-11H2,1H3
InChIKeyNINBPJOROIHPNH-UHFFFAOYSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of 1-adamantyl-(4-methylpiperazin-1-yl)methanone (CID 2827468) is 1-adamantyl-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for 1-adamantyl-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for 1-adamantyl-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-adamantyl-(4-methylpiperazin-1-yl)methanone?
The InChIKey is NINBPJOROIHPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-17-2-4-18(5-3-17)15(19)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,2-11H2,1H3.
What are the key properties of 1-adamantyl-(4-methylpiperazin-1-yl)methanone?
1-adamantyl-(4-methylpiperazin-1-yl)methanone has a molecular weight of 262.40 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 2827468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).