4-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide

C20H22ClFN2O2 — CID 26322667

IUPAC4-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H22ClFN2O2/c21-16-7-5-15(6-8-16)13-20(14-25)9-11-24(12-10-20)19(26)23-18-4-2-1-3-17(18)22/h1-8,25H,9-14H2,(H,23,26)
InChIKeyWXKYHSUZEHMYMB-UHFFFAOYSA-N
MW376.86 g/mol
LogP4.33
Rot. Bonds4

About 4-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide

4-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 26322667) has the molecular formula C20H22ClFN2O2 and a molecular weight of 376.86 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID26322667
Molecular FormulaC20H22ClFN2O2
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC Name4-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H22ClFN2O2/c21-16-7-5-15(6-8-16)13-20(14-25)9-11-24(12-10-20)19(26)23-18-4-2-1-3-17(18)22/h1-8,25H,9-14H2,(H,23,26)
InChIKeyWXKYHSUZEHMYMB-UHFFFAOYSA-N
XLogP4.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide (CID 26322667) is 4-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide is O=C(Nc1ccccc1F)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is WXKYHSUZEHMYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O2/c21-16-7-5-15(6-8-16)13-20(14-25)9-11-24(12-10-20)19(26)23-18-4-2-1-3-17(18)22/h1-8,25H,9-14H2,(H,23,26).
What are the key properties of 4-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
4-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 376.86 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 26322667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).