N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide

C18H22FN3O — CID 163357727

IUPACN-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide
SMILESN#Cc1ccc(CN2CCC(NC(=O)C3CCC3)CC2)c(F)c1
InChIInChI=1S/C18H22FN3O/c19-17-10-13(11-20)4-5-15(17)12-22-8-6-16(7-9-22)21-18(23)14-2-1-3-14/h4-5,10,14,16H,1-3,6-9,12H2,(H,21,23)
InChIKeyKRYHVJPVNUJUSR-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.58
Rot. Bonds4

About N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide

N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide (PubChem CID 163357727) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide
PubChem CID163357727
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC NameN-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide
SMILESN#Cc1ccc(CN2CCC(NC(=O)C3CCC3)CC2)c(F)c1
InChIInChI=1S/C18H22FN3O/c19-17-10-13(11-20)4-5-15(17)12-22-8-6-16(7-9-22)21-18(23)14-2-1-3-14/h4-5,10,14,16H,1-3,6-9,12H2,(H,21,23)
InChIKeyKRYHVJPVNUJUSR-UHFFFAOYSA-N
XLogP2.58
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide (CID 163357727) is N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide is N#Cc1ccc(CN2CCC(NC(=O)C3CCC3)CC2)c(F)c1.
What is the InChIKey of N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide?
The InChIKey is KRYHVJPVNUJUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c19-17-10-13(11-20)4-5-15(17)12-22-8-6-16(7-9-22)21-18(23)14-2-1-3-14/h4-5,10,14,16H,1-3,6-9,12H2,(H,21,23).
What are the key properties of N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide?
N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide has a molecular weight of 315.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 163357727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).