4-[3-(4-fluorophenyl)phenyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperazine-1-carboxamide

C26H33FN4O — CID 118254683

IUPAC4-[3-(4-fluorophenyl)phenyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperazine-1-carboxamide
SMILESCC1(NC(=O)N2CCN(c3cccc(-c4ccc(F)cc4)c3)CC2)CCN2CCC1CC2
InChIInChI=1S/C26H33FN4O/c1-26(11-14-29-12-9-22(26)10-13-29)28-25(32)31-17-15-30(16-18-31)24-4-2-3-21(19-24)20-5-7-23(27)8-6-20/h2-8,19,22H,9-18H2,1H3,(H,28,32)
InChIKeyPUNAVOPRCYMYFJ-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.20
Rot. Bonds3

About 4-[3-(4-fluorophenyl)phenyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperazine-1-carboxamide

4-[3-(4-fluorophenyl)phenyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperazine-1-carboxamide (PubChem CID 118254683) has the molecular formula C26H33FN4O and a molecular weight of 436.58 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)phenyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)phenyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperazine-1-carboxamide
PubChem CID118254683
Molecular FormulaC26H33FN4O
Molecular Weight436.58 g/mol
Exact Mass436.26
IUPAC Name4-[3-(4-fluorophenyl)phenyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperazine-1-carboxamide
SMILESCC1(NC(=O)N2CCN(c3cccc(-c4ccc(F)cc4)c3)CC2)CCN2CCC1CC2
InChIInChI=1S/C26H33FN4O/c1-26(11-14-29-12-9-22(26)10-13-29)28-25(32)31-17-15-30(16-18-31)24-4-2-3-21(19-24)20-5-7-23(27)8-6-20/h2-8,19,22H,9-18H2,1H3,(H,28,32)
InChIKeyPUNAVOPRCYMYFJ-UHFFFAOYSA-N
XLogP4.20
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-(4-fluorophenyl)phenyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)-1-(3-pyrimidin-5-ylphenyl)piperidine-4-carboxamide
CID 118254774
4-fluoro-1-[5-(4-fluorophenoxy)-3-pyridinyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide
CID 118254769
4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]piperazine-1-carboxylic acid
CID 67608931
4-(3-phenylphenyl)piperazine-1-carboxylic acid
CID 69366548
N-[3-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 55697273
tert-butyl 4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]piperazine-1-carboxylate
CID 67249256
[4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-hydroxyphenyl)phenyl]methanone
CID 2106289
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
4-(3-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 113114501
cyclopropyl-[4-[[2-[3-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]methanone
CID 151173158
4-[5-fluoro-4-[4-(methoxymethyl)phenyl]pyrimidin-2-yl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)-3-propan-2-ylpiperazine-1-carboxamide
CID 118254925
[5-(4-fluorophenyl)furan-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 18282964

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)phenyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[3-(4-fluorophenyl)phenyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperazine-1-carboxamide (CID 118254683) is 4-[3-(4-fluorophenyl)phenyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)phenyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)phenyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperazine-1-carboxamide is CC1(NC(=O)N2CCN(c3cccc(-c4ccc(F)cc4)c3)CC2)CCN2CCC1CC2.
What is the InChIKey of 4-[3-(4-fluorophenyl)phenyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperazine-1-carboxamide?
The InChIKey is PUNAVOPRCYMYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN4O/c1-26(11-14-29-12-9-22(26)10-13-29)28-25(32)31-17-15-30(16-18-31)24-4-2-3-21(19-24)20-5-7-23(27)8-6-20/h2-8,19,22H,9-18H2,1H3,(H,28,32).
What are the key properties of 4-[3-(4-fluorophenyl)phenyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperazine-1-carboxamide?
4-[3-(4-fluorophenyl)phenyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperazine-1-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)phenyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 118254683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).