4-benzyl-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide

C19H20ClFN2O2 — CID 23071940

IUPAC4-benzyl-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C19H20ClFN2O2/c20-15-10-16(21)12-17(11-15)22-18(24)23-8-6-19(25,7-9-23)13-14-4-2-1-3-5-14/h1-5,10-12,25H,6-9,13H2,(H,22,24)
InChIKeyKFIVAEQZIOTTIT-UHFFFAOYSA-N
MW362.83 g/mol
LogP4.08
Rot. Bonds3

About 4-benzyl-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide

4-benzyl-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide (PubChem CID 23071940) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is 4-benzyl-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
PubChem CID23071940
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Name4-benzyl-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C19H20ClFN2O2/c20-15-10-16(21)12-17(11-15)22-18(24)23-8-6-19(25,7-9-23)13-14-4-2-1-3-5-14/h1-5,10-12,25H,6-9,13H2,(H,22,24)
InChIKeyKFIVAEQZIOTTIT-UHFFFAOYSA-N
XLogP4.08
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of 4-benzyl-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide (CID 23071940) is 4-benzyl-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide is O=C(Nc1cc(F)cc(Cl)c1)N1CCC(O)(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide?
The InChIKey is KFIVAEQZIOTTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c20-15-10-16(21)12-17(11-15)22-18(24)23-8-6-19(25,7-9-23)13-14-4-2-1-3-5-14/h1-5,10-12,25H,6-9,13H2,(H,22,24).
What are the key properties of 4-benzyl-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide?
4-benzyl-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide has a molecular weight of 362.83 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 23071940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).