N-(4-fluorophenyl)-2-[4-[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]piperazin-1-yl]acetamide

C24H32FN3O3 — CID 9405187

IUPACN-(4-fluorophenyl)-2-[4-[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)CC23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C24H32FN3O3/c25-19-1-3-20(4-2-19)26-21(29)15-27-5-7-28(8-6-27)22(30)14-23-10-17-9-18(11-23)13-24(31,12-17)16-23/h1-4,17-18,31H,5-16H2,(H,26,29)/t17-,18+,23?,24?
InChIKeyDPGGRZXFNJAJRW-ISVJADKWSA-N
MW429.54 g/mol
LogP2.63
Rot. Bonds5

About N-(4-fluorophenyl)-2-[4-[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]piperazin-1-yl]acetamide (PubChem CID 9405187) has the molecular formula C24H32FN3O3 and a molecular weight of 429.54 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]piperazin-1-yl]acetamide
PubChem CID9405187
Molecular FormulaC24H32FN3O3
Molecular Weight429.54 g/mol
Exact Mass429.24
IUPAC NameN-(4-fluorophenyl)-2-[4-[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)CC23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C24H32FN3O3/c25-19-1-3-20(4-2-19)26-21(29)15-27-5-7-28(8-6-27)22(30)14-23-10-17-9-18(11-23)13-24(31,12-17)16-23/h1-4,17-18,31H,5-16H2,(H,26,29)/t17-,18+,23?,24?
InChIKeyDPGGRZXFNJAJRW-ISVJADKWSA-N
XLogP2.63
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[4-[2-(3-hydroxy-1-adamantyl)acetyl]piperazin-1-yl]acetamide
CID 24547641
2-(3-hydroxy-1-adamantyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 24620546
1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(5R,7R)-3-hydroxy-1-adamantyl]ethanone
CID 98168287
2-[4-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 21174709
N-(4-fluorophenyl)-2-[4-[(1S,2R)-2-methylcyclopropanecarbonyl]piperazin-1-yl]acetamide
CID 9021895
N-(4-fluorophenyl)-2-[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperazin-1-yl]acetamide
CID 27850319
2-(3-hydroxy-1-adamantyl)-N-phenylacetamide
CID 18104229
2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 119833340
2-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021981
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone
CID 9368840
N-(4-fluorophenyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119833345

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]piperazin-1-yl]acetamide (CID 9405187) is N-(4-fluorophenyl)-2-[4-[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)CC23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]piperazin-1-yl]acetamide?
The InChIKey is DPGGRZXFNJAJRW-ISVJADKWSA-N. The full InChI is InChI=1S/C24H32FN3O3/c25-19-1-3-20(4-2-19)26-21(29)15-27-5-7-28(8-6-27)22(30)14-23-10-17-9-18(11-23)13-24(31,12-17)16-23/h1-4,17-18,31H,5-16H2,(H,26,29)/t17-,18+,23?,24?.
What are the key properties of N-(4-fluorophenyl)-2-[4-[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]piperazin-1-yl]acetamide has a molecular weight of 429.54 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9405187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).