N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide

C18H19ClFN3O2 — CID 16668101

IUPACN-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide
SMILESO=C(CN1CCC(O)(c2ccccn2)CC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H19ClFN3O2/c19-14-11-13(4-5-15(14)20)22-17(24)12-23-9-6-18(25,7-10-23)16-3-1-2-8-21-16/h1-5,8,11,25H,6-7,9-10,12H2,(H,22,24)
InChIKeyVSQKSPOCVWGKAV-UHFFFAOYSA-N
MW363.82 g/mol
LogP2.80
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide

N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide (PubChem CID 16668101) has the molecular formula C18H19ClFN3O2 and a molecular weight of 363.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide
PubChem CID16668101
Molecular FormulaC18H19ClFN3O2
Molecular Weight363.82 g/mol
Exact Mass363.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide
SMILESO=C(CN1CCC(O)(c2ccccn2)CC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H19ClFN3O2/c19-14-11-13(4-5-15(14)20)22-17(24)12-23-9-6-18(25,7-10-23)16-3-1-2-8-21-16/h1-5,8,11,25H,6-7,9-10,12H2,(H,22,24)
InChIKeyVSQKSPOCVWGKAV-UHFFFAOYSA-N
XLogP2.80
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide (CID 16668101) is N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide is O=C(CN1CCC(O)(c2ccccn2)CC1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide?
The InChIKey is VSQKSPOCVWGKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O2/c19-14-11-13(4-5-15(14)20)22-17(24)12-23-9-6-18(25,7-10-23)16-3-1-2-8-21-16/h1-5,8,11,25H,6-7,9-10,12H2,(H,22,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide has a molecular weight of 363.82 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 16668101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).