N-(1-adamantyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

C20H27N3O3 — CID 2941688

IUPACN-(1-adamantyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H27N3O3/c24-18(17-2-1-7-26-17)22-3-5-23(6-4-22)19(25)21-20-11-14-8-15(12-20)10-16(9-14)13-20/h1-2,7,14-16H,3-6,8-13H2,(H,21,25)
InChIKeyXHGVAMOKZSJHSM-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.72
Rot. Bonds2

About N-(1-adamantyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

N-(1-adamantyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide (PubChem CID 2941688) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(1-adamantyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
PubChem CID2941688
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-(1-adamantyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H27N3O3/c24-18(17-2-1-7-26-17)22-3-5-23(6-4-22)19(25)21-20-11-14-8-15(12-20)10-16(9-14)13-20/h1-2,7,14-16H,3-6,8-13H2,(H,21,25)
InChIKeyXHGVAMOKZSJHSM-UHFFFAOYSA-N
XLogP2.72
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide (CID 2941688) is N-(1-adamantyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-(1-adamantyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is XHGVAMOKZSJHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c24-18(17-2-1-7-26-17)22-3-5-23(6-4-22)19(25)21-20-11-14-8-15(12-20)10-16(9-14)13-20/h1-2,7,14-16H,3-6,8-13H2,(H,21,25).
What are the key properties of N-(1-adamantyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
N-(1-adamantyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 2941688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).