1-[3-(4-fluoropiperidin-1-yl)-2,3,4-trimethyl-4-piperidin-1-ylpentan-2-yl]-N-methylpiperidine-4-carboxamide

C25H47FN4O — CID 146369190

IUPAC1-[3-(4-fluoropiperidin-1-yl)-2,3,4-trimethyl-4-piperidin-1-ylpentan-2-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(C)(C)C(C)(N2CCC(F)CC2)C(C)(C)N2CCCCC2)CC1
InChIInChI=1S/C25H47FN4O/c1-23(2,28-14-8-7-9-15-28)25(5,30-18-12-21(26)13-19-30)24(3,4)29-16-10-20(11-17-29)22(31)27-6/h20-21H,7-19H2,1-6H3,(H,27,31)
InChIKeyNPWQHNHCSAOSEV-UHFFFAOYSA-N
MW438.68 g/mol
LogP3.68
Rot. Bonds6

About 1-[3-(4-fluoropiperidin-1-yl)-2,3,4-trimethyl-4-piperidin-1-ylpentan-2-yl]-N-methylpiperidine-4-carboxamide

1-[3-(4-fluoropiperidin-1-yl)-2,3,4-trimethyl-4-piperidin-1-ylpentan-2-yl]-N-methylpiperidine-4-carboxamide (PubChem CID 146369190) has the molecular formula C25H47FN4O and a molecular weight of 438.68 g/mol. Its IUPAC name is 1-[3-(4-fluoropiperidin-1-yl)-2,3,4-trimethyl-4-piperidin-1-ylpentan-2-yl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-fluoropiperidin-1-yl)-2,3,4-trimethyl-4-piperidin-1-ylpentan-2-yl]-N-methylpiperidine-4-carboxamide
PubChem CID146369190
Molecular FormulaC25H47FN4O
Molecular Weight438.68 g/mol
Exact Mass438.37
IUPAC Name1-[3-(4-fluoropiperidin-1-yl)-2,3,4-trimethyl-4-piperidin-1-ylpentan-2-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(C)(C)C(C)(N2CCC(F)CC2)C(C)(C)N2CCCCC2)CC1
InChIInChI=1S/C25H47FN4O/c1-23(2,28-14-8-7-9-15-28)25(5,30-18-12-21(26)13-19-30)24(3,4)29-16-10-20(11-17-29)22(31)27-6/h20-21H,7-19H2,1-6H3,(H,27,31)
InChIKeyNPWQHNHCSAOSEV-UHFFFAOYSA-N
XLogP3.68
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.68
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(4-fluoropiperidin-1-yl)-2,3,4-trimethyl-4-piperidin-1-ylpentan-2-yl]-N-methylpiperidine-4-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 1-[3-(4-fluoropiperidin-1-yl)-2,3,4-trimethyl-4-piperidin-1-ylpentan-2-yl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-fluoropiperidin-1-yl)-2,3,4-trimethyl-4-piperidin-1-ylpentan-2-yl]-N-methylpiperidine-4-carboxamide (CID 146369190) is 1-[3-(4-fluoropiperidin-1-yl)-2,3,4-trimethyl-4-piperidin-1-ylpentan-2-yl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-fluoropiperidin-1-yl)-2,3,4-trimethyl-4-piperidin-1-ylpentan-2-yl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-fluoropiperidin-1-yl)-2,3,4-trimethyl-4-piperidin-1-ylpentan-2-yl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(C)(C)C(C)(N2CCC(F)CC2)C(C)(C)N2CCCCC2)CC1.
What is the InChIKey of 1-[3-(4-fluoropiperidin-1-yl)-2,3,4-trimethyl-4-piperidin-1-ylpentan-2-yl]-N-methylpiperidine-4-carboxamide?
The InChIKey is NPWQHNHCSAOSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47FN4O/c1-23(2,28-14-8-7-9-15-28)25(5,30-18-12-21(26)13-19-30)24(3,4)29-16-10-20(11-17-29)22(31)27-6/h20-21H,7-19H2,1-6H3,(H,27,31).
What are the key properties of 1-[3-(4-fluoropiperidin-1-yl)-2,3,4-trimethyl-4-piperidin-1-ylpentan-2-yl]-N-methylpiperidine-4-carboxamide?
1-[3-(4-fluoropiperidin-1-yl)-2,3,4-trimethyl-4-piperidin-1-ylpentan-2-yl]-N-methylpiperidine-4-carboxamide has a molecular weight of 438.68 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluoropiperidin-1-yl)-2,3,4-trimethyl-4-piperidin-1-ylpentan-2-yl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 146369190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).