6-fluoro-N-[4-[2-(3-hydroxy-4-methylcyclohexyl)ethyl]cyclohexyl]piperidine-2-carboxamide

C21H37FN2O2 — CID 130200272

IUPAC6-fluoro-N-[4-[2-(3-hydroxy-4-methylcyclohexyl)ethyl]cyclohexyl]piperidine-2-carboxamide
SMILESCC1CCC(CCC2CCC(NC(=O)C3CCCC(F)N3)CC2)CC1O
InChIInChI=1S/C21H37FN2O2/c1-14-5-6-16(13-19(14)25)8-7-15-9-11-17(12-10-15)23-21(26)18-3-2-4-20(22)24-18/h14-20,24-25H,2-13H2,1H3,(H,23,26)
InChIKeyBHTMLPMBUVRUON-UHFFFAOYSA-N
MW368.54 g/mol
LogP3.68
Rot. Bonds5

About 6-fluoro-N-[4-[2-(3-hydroxy-4-methylcyclohexyl)ethyl]cyclohexyl]piperidine-2-carboxamide

6-fluoro-N-[4-[2-(3-hydroxy-4-methylcyclohexyl)ethyl]cyclohexyl]piperidine-2-carboxamide (PubChem CID 130200272) has the molecular formula C21H37FN2O2 and a molecular weight of 368.54 g/mol. Its IUPAC name is 6-fluoro-N-[4-[2-(3-hydroxy-4-methylcyclohexyl)ethyl]cyclohexyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[4-[2-(3-hydroxy-4-methylcyclohexyl)ethyl]cyclohexyl]piperidine-2-carboxamide
PubChem CID130200272
Molecular FormulaC21H37FN2O2
Molecular Weight368.54 g/mol
Exact Mass368.28
IUPAC Name6-fluoro-N-[4-[2-(3-hydroxy-4-methylcyclohexyl)ethyl]cyclohexyl]piperidine-2-carboxamide
SMILESCC1CCC(CCC2CCC(NC(=O)C3CCCC(F)N3)CC2)CC1O
InChIInChI=1S/C21H37FN2O2/c1-14-5-6-16(13-19(14)25)8-7-15-9-11-17(12-10-15)23-21(26)18-3-2-4-20(22)24-18/h14-20,24-25H,2-13H2,1H3,(H,23,26)
InChIKeyBHTMLPMBUVRUON-UHFFFAOYSA-N
XLogP3.68
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-[2-(3-hydroxy-4-methylcyclohexyl)ethyl]cyclohexyl]piperidine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[4-[2-(3-hydroxy-4-methylcyclohexyl)ethyl]cyclohexyl]piperidine-2-carboxamide (CID 130200272) is 6-fluoro-N-[4-[2-(3-hydroxy-4-methylcyclohexyl)ethyl]cyclohexyl]piperidine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[4-[2-(3-hydroxy-4-methylcyclohexyl)ethyl]cyclohexyl]piperidine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[4-[2-(3-hydroxy-4-methylcyclohexyl)ethyl]cyclohexyl]piperidine-2-carboxamide is CC1CCC(CCC2CCC(NC(=O)C3CCCC(F)N3)CC2)CC1O.
What is the InChIKey of 6-fluoro-N-[4-[2-(3-hydroxy-4-methylcyclohexyl)ethyl]cyclohexyl]piperidine-2-carboxamide?
The InChIKey is BHTMLPMBUVRUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37FN2O2/c1-14-5-6-16(13-19(14)25)8-7-15-9-11-17(12-10-15)23-21(26)18-3-2-4-20(22)24-18/h14-20,24-25H,2-13H2,1H3,(H,23,26).
What are the key properties of 6-fluoro-N-[4-[2-(3-hydroxy-4-methylcyclohexyl)ethyl]cyclohexyl]piperidine-2-carboxamide?
6-fluoro-N-[4-[2-(3-hydroxy-4-methylcyclohexyl)ethyl]cyclohexyl]piperidine-2-carboxamide has a molecular weight of 368.54 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[4-[2-(3-hydroxy-4-methylcyclohexyl)ethyl]cyclohexyl]piperidine-2-carboxamide is sourced from PubChem (CID 130200272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).