1-[[1-(4-fluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide

C24H31FN4O3 — CID 110152315

IUPAC1-[[1-(4-fluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide
SMILESCOc1ccc(N2CCN(CC3(O)CCN(c4ccc(F)cc4)CC3)C(C(N)=O)C2)cc1
InChIInChI=1S/C24H31FN4O3/c1-32-21-8-6-20(7-9-21)28-14-15-29(22(16-28)23(26)30)17-24(31)10-12-27(13-11-24)19-4-2-18(25)3-5-19/h2-9,22,31H,10-17H2,1H3,(H2,26,30)
InChIKeyCMKWOHYMABELCO-UHFFFAOYSA-N
MW442.54 g/mol
LogP1.84
Rot. Bonds6

About 1-[[1-(4-fluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide

1-[[1-(4-fluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide (PubChem CID 110152315) has the molecular formula C24H31FN4O3 and a molecular weight of 442.54 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide
PubChem CID110152315
Molecular FormulaC24H31FN4O3
Molecular Weight442.54 g/mol
Exact Mass442.24
IUPAC Name1-[[1-(4-fluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide
SMILESCOc1ccc(N2CCN(CC3(O)CCN(c4ccc(F)cc4)CC3)C(C(N)=O)C2)cc1
InChIInChI=1S/C24H31FN4O3/c1-32-21-8-6-20(7-9-21)28-14-15-29(22(16-28)23(26)30)17-24(31)10-12-27(13-11-24)19-4-2-18(25)3-5-19/h2-9,22,31H,10-17H2,1H3,(H2,26,30)
InChIKeyCMKWOHYMABELCO-UHFFFAOYSA-N
XLogP1.84
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-benzyl-1-[[4-hydroxy-1-(4-methoxyphenyl)piperidin-4-yl]methyl]-N-methylpiperazine-2-carboxamide
CID 129459468
(2S)-1-(2-amino-2-oxoethyl)-4-(4-methoxyphenyl)-N-methylpiperazine-2-carboxamide
CID 95821736
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 113198428
1-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 132779594
(2R)-4-(4-methoxyphenyl)-1-(6-methylpyrimidin-4-yl)piperazine-2-carboxamide
CID 95843290
1-[2-(3-acetamido-4-methylanilino)-2-oxoethyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 110152768
1-[2-(dimethylamino)acetyl]-4-(4-fluorophenyl)piperazine-2-carboxamide
CID 175661563
(2S)-1-[2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]-2-oxoethyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 124969174
(2S)-2-(4-fluorophenoxy)-2-[(2R)-1-(4-methoxyphenyl)aziridin-2-yl]acetamide
CID 101388592
(2R)-2-(4-fluorophenoxy)-2-[(2S)-1-(4-methoxyphenyl)aziridin-2-yl]acetamide
CID 101388593
1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]cyclopropan-1-amine
CID 65458650
ethyl (4S,5S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-4-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate
CID 40921415

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide?
The IUPAC name of 1-[[1-(4-fluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide (CID 110152315) is 1-[[1-(4-fluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide?
The canonical SMILES for 1-[[1-(4-fluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide is COc1ccc(N2CCN(CC3(O)CCN(c4ccc(F)cc4)CC3)C(C(N)=O)C2)cc1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide?
The InChIKey is CMKWOHYMABELCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O3/c1-32-21-8-6-20(7-9-21)28-14-15-29(22(16-28)23(26)30)17-24(31)10-12-27(13-11-24)19-4-2-18(25)3-5-19/h2-9,22,31H,10-17H2,1H3,(H2,26,30).
What are the key properties of 1-[[1-(4-fluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide?
1-[[1-(4-fluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide is sourced from PubChem (CID 110152315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).