1-N-cyclohexyl-3-N-[(2-fluorophenyl)methyl]piperidine-1,3-dicarboxamide

C20H28FN3O2 — CID 644811

IUPAC1-N-cyclohexyl-3-N-[(2-fluorophenyl)methyl]piperidine-1,3-dicarboxamide
SMILESO=C(NCc1ccccc1F)C1CCCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C20H28FN3O2/c21-18-11-5-4-7-15(18)13-22-19(25)16-8-6-12-24(14-16)20(26)23-17-9-2-1-3-10-17/h4-5,7,11,16-17H,1-3,6,8-10,12-14H2,(H,22,25)(H,23,26)
InChIKeyNEIDTFLGLJNBBA-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.20
Rot. Bonds4

About 1-N-cyclohexyl-3-N-[(2-fluorophenyl)methyl]piperidine-1,3-dicarboxamide

1-N-cyclohexyl-3-N-[(2-fluorophenyl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 644811) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is 1-N-cyclohexyl-3-N-[(2-fluorophenyl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-3-N-[(2-fluorophenyl)methyl]piperidine-1,3-dicarboxamide
PubChem CID644811
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC Name1-N-cyclohexyl-3-N-[(2-fluorophenyl)methyl]piperidine-1,3-dicarboxamide
SMILESO=C(NCc1ccccc1F)C1CCCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C20H28FN3O2/c21-18-11-5-4-7-15(18)13-22-19(25)16-8-6-12-24(14-16)20(26)23-17-9-2-1-3-10-17/h4-5,7,11,16-17H,1-3,6,8-10,12-14H2,(H,22,25)(H,23,26)
InChIKeyNEIDTFLGLJNBBA-UHFFFAOYSA-N
XLogP3.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-3-N-[(2-fluorophenyl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-3-N-[(2-fluorophenyl)methyl]piperidine-1,3-dicarboxamide (CID 644811) is 1-N-cyclohexyl-3-N-[(2-fluorophenyl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-3-N-[(2-fluorophenyl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-3-N-[(2-fluorophenyl)methyl]piperidine-1,3-dicarboxamide is O=C(NCc1ccccc1F)C1CCCN(C(=O)NC2CCCCC2)C1.
What is the InChIKey of 1-N-cyclohexyl-3-N-[(2-fluorophenyl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is NEIDTFLGLJNBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2/c21-18-11-5-4-7-15(18)13-22-19(25)16-8-6-12-24(14-16)20(26)23-17-9-2-1-3-10-17/h4-5,7,11,16-17H,1-3,6,8-10,12-14H2,(H,22,25)(H,23,26).
What are the key properties of 1-N-cyclohexyl-3-N-[(2-fluorophenyl)methyl]piperidine-1,3-dicarboxamide?
1-N-cyclohexyl-3-N-[(2-fluorophenyl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 361.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-3-N-[(2-fluorophenyl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 644811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).