4-acetyl-N-(1-adamantyl)piperazine-1-carboxamide

C17H27N3O2 — CID 90668282

IUPAC4-acetyl-N-(1-adamantyl)piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C17H27N3O2/c1-12(21)19-2-4-20(5-3-19)16(22)18-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-15H,2-11H2,1H3,(H,18,22)
InChIKeyNOCYPOKOYJWLMV-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.83
Rot. Bonds1

About 4-acetyl-N-(1-adamantyl)piperazine-1-carboxamide

4-acetyl-N-(1-adamantyl)piperazine-1-carboxamide (PubChem CID 90668282) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-acetyl-N-(1-adamantyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(1-adamantyl)piperazine-1-carboxamide
PubChem CID90668282
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name4-acetyl-N-(1-adamantyl)piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C17H27N3O2/c1-12(21)19-2-4-20(5-3-19)16(22)18-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-15H,2-11H2,1H3,(H,18,22)
InChIKeyNOCYPOKOYJWLMV-UHFFFAOYSA-N
XLogP1.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(1-adamantyl)piperazine-1-carboxamide?
The IUPAC name of 4-acetyl-N-(1-adamantyl)piperazine-1-carboxamide (CID 90668282) is 4-acetyl-N-(1-adamantyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-(1-adamantyl)piperazine-1-carboxamide?
The canonical SMILES for 4-acetyl-N-(1-adamantyl)piperazine-1-carboxamide is CC(=O)N1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 4-acetyl-N-(1-adamantyl)piperazine-1-carboxamide?
The InChIKey is NOCYPOKOYJWLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12(21)19-2-4-20(5-3-19)16(22)18-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-15H,2-11H2,1H3,(H,18,22).
What are the key properties of 4-acetyl-N-(1-adamantyl)piperazine-1-carboxamide?
4-acetyl-N-(1-adamantyl)piperazine-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(1-adamantyl)piperazine-1-carboxamide is sourced from PubChem (CID 90668282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).