(3,5-dimethyl-1-adamantyl)-(3,5-dimethylpiperazin-1-yl)methanone

C19H32N2O — CID 119564263

IUPAC(3,5-dimethyl-1-adamantyl)-(3,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)CC(C)N1
InChIInChI=1S/C19H32N2O/c1-13-8-21(9-14(2)20-13)16(22)19-7-15-5-17(3,11-19)10-18(4,6-15)12-19/h13-15,20H,5-12H2,1-4H3
InChIKeyJEQHDAILQDEWIR-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.19
Rot. Bonds1

About (3,5-dimethyl-1-adamantyl)-(3,5-dimethylpiperazin-1-yl)methanone

(3,5-dimethyl-1-adamantyl)-(3,5-dimethylpiperazin-1-yl)methanone (PubChem CID 119564263) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is (3,5-dimethyl-1-adamantyl)-(3,5-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1-adamantyl)-(3,5-dimethylpiperazin-1-yl)methanone
PubChem CID119564263
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name(3,5-dimethyl-1-adamantyl)-(3,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)CC(C)N1
InChIInChI=1S/C19H32N2O/c1-13-8-21(9-14(2)20-13)16(22)19-7-15-5-17(3,11-19)10-18(4,6-15)12-19/h13-15,20H,5-12H2,1-4H3
InChIKeyJEQHDAILQDEWIR-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-adamantyl)-(3,5-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (3,5-dimethyl-1-adamantyl)-(3,5-dimethylpiperazin-1-yl)methanone (CID 119564263) is (3,5-dimethyl-1-adamantyl)-(3,5-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1-adamantyl)-(3,5-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1-adamantyl)-(3,5-dimethylpiperazin-1-yl)methanone is CC1CN(C(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)CC(C)N1.
What is the InChIKey of (3,5-dimethyl-1-adamantyl)-(3,5-dimethylpiperazin-1-yl)methanone?
The InChIKey is JEQHDAILQDEWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-13-8-21(9-14(2)20-13)16(22)19-7-15-5-17(3,11-19)10-18(4,6-15)12-19/h13-15,20H,5-12H2,1-4H3.
What are the key properties of (3,5-dimethyl-1-adamantyl)-(3,5-dimethylpiperazin-1-yl)methanone?
(3,5-dimethyl-1-adamantyl)-(3,5-dimethylpiperazin-1-yl)methanone has a molecular weight of 304.48 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-adamantyl)-(3,5-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 119564263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).