2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone

C23H29FN2O2 — CID 110358987

IUPAC2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H29FN2O2/c24-20-3-1-19(2-4-20)21(27)15-25-5-7-26(8-6-25)22(28)23-12-16-9-17(13-23)11-18(10-16)14-23/h1-4,16-18H,5-15H2
InChIKeyYRZMUTHSVGQJFQ-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.37
Rot. Bonds4

About 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone

2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone (PubChem CID 110358987) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
PubChem CID110358987
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H29FN2O2/c24-20-3-1-19(2-4-20)21(27)15-25-5-7-26(8-6-25)22(28)23-12-16-9-17(13-23)11-18(10-16)14-23/h1-4,16-18H,5-15H2
InChIKeyYRZMUTHSVGQJFQ-UHFFFAOYSA-N
XLogP3.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358942
1-(4-fluorophenyl)-2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 110421472
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
4-[2-(4-fluorophenyl)-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110358984
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366210
1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 13302047
[4-(adamantane-1-carbonyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 41246370
1-(4-fluorophenyl)-2-piperazin-1-ylethanone
CID 16769083
1-(4-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 15997423
1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110611235
1-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 14677538
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 4651067

Frequently Asked Questions

What is the IUPAC name of 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone (CID 110358987) is 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone is O=C(CN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)c1ccc(F)cc1.
What is the InChIKey of 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The InChIKey is YRZMUTHSVGQJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c24-20-3-1-19(2-4-20)21(27)15-25-5-7-26(8-6-25)22(28)23-12-16-9-17(13-23)11-18(10-16)14-23/h1-4,16-18H,5-15H2.
What are the key properties of 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone has a molecular weight of 384.50 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 110358987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).