2-[4-(2-adamantyl)piperazin-1-yl]acetamide

C16H27N3O — CID 22193964

IUPAC2-[4-(2-adamantyl)piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(C2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C16H27N3O/c17-15(20)10-18-1-3-19(4-2-18)16-13-6-11-5-12(8-13)9-14(16)7-11/h11-14,16H,1-10H2,(H2,17,20)
InChIKeyPCCPWKIHGKPHGH-UHFFFAOYSA-N
MW277.41 g/mol
LogP0.91
Rot. Bonds3

About 2-[4-(2-adamantyl)piperazin-1-yl]acetamide

2-[4-(2-adamantyl)piperazin-1-yl]acetamide (PubChem CID 22193964) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[4-(2-adamantyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-adamantyl)piperazin-1-yl]acetamide
PubChem CID22193964
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[4-(2-adamantyl)piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(C2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C16H27N3O/c17-15(20)10-18-1-3-19(4-2-18)16-13-6-11-5-12(8-13)9-14(16)7-11/h11-14,16H,1-10H2,(H2,17,20)
InChIKeyPCCPWKIHGKPHGH-UHFFFAOYSA-N
XLogP0.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-adamantyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(2-adamantyl)piperazin-1-yl]acetamide (CID 22193964) is 2-[4-(2-adamantyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2-adamantyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(2-adamantyl)piperazin-1-yl]acetamide is NC(=O)CN1CCN(C2C3CC4CC(C3)CC2C4)CC1.
What is the InChIKey of 2-[4-(2-adamantyl)piperazin-1-yl]acetamide?
The InChIKey is PCCPWKIHGKPHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c17-15(20)10-18-1-3-19(4-2-18)16-13-6-11-5-12(8-13)9-14(16)7-11/h11-14,16H,1-10H2,(H2,17,20).
What are the key properties of 2-[4-(2-adamantyl)piperazin-1-yl]acetamide?
2-[4-(2-adamantyl)piperazin-1-yl]acetamide has a molecular weight of 277.41 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-adamantyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 22193964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).