6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxylic acid

C20H36FN5O2 — CID 140544404

IUPAC6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(N2CCN(CC3CNNC3C3CCC(F)CC3)CC2)NC1
InChIInChI=1S/C20H36FN5O2/c21-17-4-1-14(2-5-17)19-16(12-23-24-19)13-25-7-9-26(10-8-25)18-6-3-15(11-22-18)20(27)28/h14-19,22-24H,1-13H2,(H,27,28)
InChIKeyZQUHSCOKJTZZNW-UHFFFAOYSA-N
MW397.54 g/mol
LogP0.64
Rot. Bonds5

About 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxylic acid

6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxylic acid (PubChem CID 140544404) has the molecular formula C20H36FN5O2 and a molecular weight of 397.54 g/mol. Its IUPAC name is 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxylic acid
PubChem CID140544404
Molecular FormulaC20H36FN5O2
Molecular Weight397.54 g/mol
Exact Mass397.29
IUPAC Name6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(N2CCN(CC3CNNC3C3CCC(F)CC3)CC2)NC1
InChIInChI=1S/C20H36FN5O2/c21-17-4-1-14(2-5-17)19-16(12-23-24-19)13-25-7-9-26(10-8-25)18-6-3-15(11-22-18)20(27)28/h14-19,22-24H,1-13H2,(H,27,28)
InChIKeyZQUHSCOKJTZZNW-UHFFFAOYSA-N
XLogP0.64
TPSA79.87 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxylic acid 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

1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-iodopiperidin-2-yl)piperazine
CID 140544462
1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methylcyclohexyl)piperazine
CID 140544450
1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methoxycyclohexyl)piperazine
CID 140544453
2-fluoro-5-[4-[[4-[5-(trifluoromethyl)piperidin-2-yl]piperazin-1-yl]methyl]pyrazolidin-3-yl]cyclohexane-1-carboxamide
CID 140544406
1-(3,4-dichlorocyclohexyl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine
CID 140544443
N-[[2-fluoro-5-[4-[[4-[5-(trifluoromethyl)piperidin-2-yl]piperazin-1-yl]methyl]pyrazolidin-3-yl]cyclohexyl]methyl]formamide
CID 140544458
(3R,6R)-6-(hydroxymethyl)piperidine-3-carboxylic acid
CID 91799028
4-chloro-5-[4-[(4-fluoro-2-methylcyclohexyl)methyl]piperazin-1-yl]diazinan-3-one
CID 168818777
3-(piperidin-1-ylmethyl)cyclopentane-1-carboxylic acid
CID 83820985
2-(piperidin-1-ylmethyl)cyclopropane-1-carboxylic acid
CID 67187694
6-cyclohexylpiperidine-3-carboxylic acid
CID 83916848
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxylic acid?
The IUPAC name of 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxylic acid (CID 140544404) is 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxylic acid is O=C(O)C1CCC(N2CCN(CC3CNNC3C3CCC(F)CC3)CC2)NC1.
What is the InChIKey of 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxylic acid?
The InChIKey is ZQUHSCOKJTZZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36FN5O2/c21-17-4-1-14(2-5-17)19-16(12-23-24-19)13-25-7-9-26(10-8-25)18-6-3-15(11-22-18)20(27)28/h14-19,22-24H,1-13H2,(H,27,28).
What are the key properties of 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxylic acid?
6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxylic acid has a molecular weight of 397.54 g/mol, XLogP of 0.64, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 140544404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).