N-[3-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-1-adamantyl]acetamide

C24H30FN3O3 — CID 42944646

IUPACN-[3-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-1-adamantyl]acetamide
SMILESCC(=O)NC12CC3CC(C1)CC(C(=O)N1CCN(C(=O)c4ccccc4F)CC1)(C3)C2
InChIInChI=1S/C24H30FN3O3/c1-16(29)26-24-13-17-10-18(14-24)12-23(11-17,15-24)22(31)28-8-6-27(7-9-28)21(30)19-4-2-3-5-20(19)25/h2-5,17-18H,6-15H2,1H3,(H,26,29)
InChIKeyZCZDEUCYEYKFBO-UHFFFAOYSA-N
MW427.52 g/mol
LogP2.59
Rot. Bonds3

About N-[3-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-1-adamantyl]acetamide

N-[3-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-1-adamantyl]acetamide (PubChem CID 42944646) has the molecular formula C24H30FN3O3 and a molecular weight of 427.52 g/mol. Its IUPAC name is N-[3-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-1-adamantyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-1-adamantyl]acetamide
PubChem CID42944646
Molecular FormulaC24H30FN3O3
Molecular Weight427.52 g/mol
Exact Mass427.23
IUPAC NameN-[3-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-1-adamantyl]acetamide
SMILESCC(=O)NC12CC3CC(C1)CC(C(=O)N1CCN(C(=O)c4ccccc4F)CC1)(C3)C2
InChIInChI=1S/C24H30FN3O3/c1-16(29)26-24-13-17-10-18(14-24)12-23(11-17,15-24)22(31)28-8-6-27(7-9-28)21(30)19-4-2-3-5-20(19)25/h2-5,17-18H,6-15H2,1H3,(H,26,29)
InChIKeyZCZDEUCYEYKFBO-UHFFFAOYSA-N
XLogP2.59
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-1-adamantyl]acetamide?
The IUPAC name of N-[3-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-1-adamantyl]acetamide (CID 42944646) is N-[3-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-1-adamantyl]acetamide.
What is the SMILES notation for N-[3-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-1-adamantyl]acetamide?
The canonical SMILES for N-[3-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-1-adamantyl]acetamide is CC(=O)NC12CC3CC(C1)CC(C(=O)N1CCN(C(=O)c4ccccc4F)CC1)(C3)C2.
What is the InChIKey of N-[3-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-1-adamantyl]acetamide?
The InChIKey is ZCZDEUCYEYKFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3/c1-16(29)26-24-13-17-10-18(14-24)12-23(11-17,15-24)22(31)28-8-6-27(7-9-28)21(30)19-4-2-3-5-20(19)25/h2-5,17-18H,6-15H2,1H3,(H,26,29).
What are the key properties of N-[3-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-1-adamantyl]acetamide?
N-[3-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-1-adamantyl]acetamide has a molecular weight of 427.52 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-1-adamantyl]acetamide is sourced from PubChem (CID 42944646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).