4-[2-(2,4-difluorophenyl)ethyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide

C20H28F2N2O2 — CID 132972230

IUPAC4-[2-(2,4-difluorophenyl)ethyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)N1CCC(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C20H28F2N2O2/c21-16-4-3-15(19(22)13-16)2-1-14-9-11-24(12-10-14)20(26)23-17-5-7-18(25)8-6-17/h3-4,13-14,17-18,25H,1-2,5-12H2,(H,23,26)
InChIKeyJNQSOVOTQHRVPI-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.62
Rot. Bonds4

About 4-[2-(2,4-difluorophenyl)ethyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide

4-[2-(2,4-difluorophenyl)ethyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide (PubChem CID 132972230) has the molecular formula C20H28F2N2O2 and a molecular weight of 366.45 g/mol. Its IUPAC name is 4-[2-(2,4-difluorophenyl)ethyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2,4-difluorophenyl)ethyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide
PubChem CID132972230
Molecular FormulaC20H28F2N2O2
Molecular Weight366.45 g/mol
Exact Mass366.21
IUPAC Name4-[2-(2,4-difluorophenyl)ethyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)N1CCC(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C20H28F2N2O2/c21-16-4-3-15(19(22)13-16)2-1-14-9-11-24(12-10-14)20(26)23-17-5-7-18(25)8-6-17/h3-4,13-14,17-18,25H,1-2,5-12H2,(H,23,26)
InChIKeyJNQSOVOTQHRVPI-UHFFFAOYSA-N
XLogP3.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-difluorophenyl)ethyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-(2,4-difluorophenyl)ethyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide (CID 132972230) is 4-[2-(2,4-difluorophenyl)ethyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(2,4-difluorophenyl)ethyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(2,4-difluorophenyl)ethyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide is O=C(NC1CCC(O)CC1)N1CCC(CCc2ccc(F)cc2F)CC1.
What is the InChIKey of 4-[2-(2,4-difluorophenyl)ethyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide?
The InChIKey is JNQSOVOTQHRVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N2O2/c21-16-4-3-15(19(22)13-16)2-1-14-9-11-24(12-10-14)20(26)23-17-5-7-18(25)8-6-17/h3-4,13-14,17-18,25H,1-2,5-12H2,(H,23,26).
What are the key properties of 4-[2-(2,4-difluorophenyl)ethyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide?
4-[2-(2,4-difluorophenyl)ethyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-difluorophenyl)ethyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide is sourced from PubChem (CID 132972230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).