methyl 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxylate

C20H30FN3O2 — CID 15518522

IUPACmethyl 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCCN2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C20H30FN3O2/c1-26-20(25)17-7-11-22(12-8-17)9-2-10-23-13-15-24(16-14-23)19-5-3-18(21)4-6-19/h3-6,17H,2,7-16H2,1H3
InChIKeyBHYUZPFWYKETSO-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.22
Rot. Bonds6

About methyl 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxylate

methyl 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxylate (PubChem CID 15518522) has the molecular formula C20H30FN3O2 and a molecular weight of 363.48 g/mol. Its IUPAC name is methyl 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxylate
PubChem CID15518522
Molecular FormulaC20H30FN3O2
Molecular Weight363.48 g/mol
Exact Mass363.23
IUPAC Namemethyl 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCCN2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C20H30FN3O2/c1-26-20(25)17-7-11-22(12-8-17)9-2-10-23-13-15-24(16-14-23)19-5-3-18(21)4-6-19/h3-6,17H,2,7-16H2,1H3
InChIKeyBHYUZPFWYKETSO-UHFFFAOYSA-N
XLogP2.22
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxylate 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

methyl 1-(5-(18F)fluoropentyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 11552587
Ethyl 1-(3-((4-fluorophenyl)amino)-3-oxopropyl)piperidine-4-carboxylate
CID 740130
1-[4-(Dimethylamino)benzyl]isonipecotic acid ethyl ester
CID 763998
[4-(2-Fluorophenyl)piperazin-1-yl][1-(2-methylpropyl)piperidin-4-yl]methanone
CID 883940
1-(4-fluorophenyl)-4-[1-(tetrahydro-2H-pyran-4-ylcarbonyl)-3-piperidinyl]piperazine
CID 24791738
Aep-IN-1
CID 164516839
Ethyl 1-[3-oxo-3-(phenylamino)propyl]piperidine-4-carboxylate
CID 739985
methyl 4-[4-(N-propanoylanilino)piperidin-1-yl]butanoate
CID 14873773
Methyl 4-oxo-4-(3-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-1-piperidinyl)butanoate
CID 23723961
Ethyl 1-[4-amino-3-(4-ethoxycarbonylpiperidin-1-yl)phenyl]piperidine-4-carboxylate
CID 168297073
N-[4-(methoxymethyl)-1-(2-piperidin-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 169090887
Ethyl 1-[3-(2-fluoroanilino)-3-oxopropyl]-4-piperidinecarboxylate
CID 740142

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxylate (CID 15518522) is methyl 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxylate is COC(=O)C1CCN(CCCN2CCN(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of methyl 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxylate?
The InChIKey is BHYUZPFWYKETSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O2/c1-26-20(25)17-7-11-22(12-8-17)9-2-10-23-13-15-24(16-14-23)19-5-3-18(21)4-6-19/h3-6,17H,2,7-16H2,1H3.
What are the key properties of methyl 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxylate?
methyl 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxylate has a molecular weight of 363.48 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxylate is sourced from PubChem (CID 15518522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).