[4-(1-adamantyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone

C20H28N2O2 — CID 6469386

IUPAC[4-(1-adamantyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)o1
InChIInChI=1S/C20H28N2O2/c1-14-2-3-18(24-14)19(23)21-4-6-22(7-5-21)20-11-15-8-16(12-20)10-17(9-15)13-20/h2-3,15-17H,4-13H2,1H3
InChIKeyOOVOGUVSQOEAKS-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.31
Rot. Bonds2

About [4-(1-adamantyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone

[4-(1-adamantyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone (PubChem CID 6469386) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is [4-(1-adamantyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(1-adamantyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
PubChem CID6469386
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name[4-(1-adamantyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)o1
InChIInChI=1S/C20H28N2O2/c1-14-2-3-18(24-14)19(23)21-4-6-22(7-5-21)20-11-15-8-16(12-20)10-17(9-15)13-20/h2-3,15-17H,4-13H2,1H3
InChIKeyOOVOGUVSQOEAKS-UHFFFAOYSA-N
XLogP3.31
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1-adamantyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone?
The IUPAC name of [4-(1-adamantyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone (CID 6469386) is [4-(1-adamantyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for [4-(1-adamantyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone?
The canonical SMILES for [4-(1-adamantyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)o1.
What is the InChIKey of [4-(1-adamantyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone?
The InChIKey is OOVOGUVSQOEAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14-2-3-18(24-14)19(23)21-4-6-22(7-5-21)20-11-15-8-16(12-20)10-17(9-15)13-20/h2-3,15-17H,4-13H2,1H3.
What are the key properties of [4-(1-adamantyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone?
[4-(1-adamantyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone has a molecular weight of 328.46 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-adamantyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 6469386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).