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

C20H37FN6O — CID 140544409

IUPAC6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxamide
SMILESNC(=O)C1CCC(N2CCN(CC3CNNC3C3CCC(F)CC3)CC2)NC1
InChIInChI=1S/C20H37FN6O/c21-17-4-1-14(2-5-17)19-16(12-24-25-19)13-26-7-9-27(10-8-26)18-6-3-15(11-23-18)20(22)28/h14-19,23-25H,1-13H2,(H2,22,28)
InChIKeyDPWHGEOVXRPHKI-UHFFFAOYSA-N
MW396.56 g/mol
LogP0.04
Rot. Bonds5

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

6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxamide (PubChem CID 140544409) has the molecular formula C20H37FN6O and a molecular weight of 396.56 g/mol. Its IUPAC name is 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxamide
PubChem CID140544409
Molecular FormulaC20H37FN6O
Molecular Weight396.56 g/mol
Exact Mass396.30
IUPAC Name6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxamide
SMILESNC(=O)C1CCC(N2CCN(CC3CNNC3C3CCC(F)CC3)CC2)NC1
InChIInChI=1S/C20H37FN6O/c21-17-4-1-14(2-5-17)19-16(12-24-25-19)13-26-7-9-27(10-8-26)18-6-3-15(11-23-18)20(22)28/h14-19,23-25H,1-13H2,(H2,22,28)
InChIKeyDPWHGEOVXRPHKI-UHFFFAOYSA-N
XLogP0.04
TPSA85.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxamide?
The IUPAC name of 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxamide (CID 140544409) is 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxamide.
What is the SMILES notation for 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxamide?
The canonical SMILES for 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxamide is NC(=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-carboxamide?
The InChIKey is DPWHGEOVXRPHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37FN6O/c21-17-4-1-14(2-5-17)19-16(12-24-25-19)13-26-7-9-27(10-8-26)18-6-3-15(11-23-18)20(22)28/h14-19,23-25H,1-13H2,(H2,22,28).
What are the key properties of 6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxamide?
6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxamide has a molecular weight of 396.56 g/mol, XLogP of 0.04, 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-carboxamide is sourced from PubChem (CID 140544409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).