N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylcyclobutanecarboxamide

C16H21ClFN3O — CID 166605987

IUPACN-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)C1CCCN(c2ncc(Cl)cc2F)C1
InChIInChI=1S/C16H21ClFN3O/c1-20(16(22)11-4-2-5-11)13-6-3-7-21(10-13)15-14(18)8-12(17)9-19-15/h8-9,11,13H,2-7,10H2,1H3
InChIKeyXTOIKLYZYDRNDD-UHFFFAOYSA-N
MW325.81 g/mol
LogP3.10
Rot. Bonds3

About N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylcyclobutanecarboxamide

N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylcyclobutanecarboxamide (PubChem CID 166605987) has the molecular formula C16H21ClFN3O and a molecular weight of 325.81 g/mol. Its IUPAC name is N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
PubChem CID166605987
Molecular FormulaC16H21ClFN3O
Molecular Weight325.81 g/mol
Exact Mass325.14
IUPAC NameN-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)C1CCCN(c2ncc(Cl)cc2F)C1
InChIInChI=1S/C16H21ClFN3O/c1-20(16(22)11-4-2-5-11)13-6-3-7-21(10-13)15-14(18)8-12(17)9-19-15/h8-9,11,13H,2-7,10H2,1H3
InChIKeyXTOIKLYZYDRNDD-UHFFFAOYSA-N
XLogP3.10
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.81
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylcyclobutanecarboxamide?
The IUPAC name of N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylcyclobutanecarboxamide (CID 166605987) is N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylcyclobutanecarboxamide.
What is the SMILES notation for N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylcyclobutanecarboxamide?
The canonical SMILES for N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylcyclobutanecarboxamide is CN(C(=O)C1CCC1)C1CCCN(c2ncc(Cl)cc2F)C1.
What is the InChIKey of N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylcyclobutanecarboxamide?
The InChIKey is XTOIKLYZYDRNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFN3O/c1-20(16(22)11-4-2-5-11)13-6-3-7-21(10-13)15-14(18)8-12(17)9-19-15/h8-9,11,13H,2-7,10H2,1H3.
What are the key properties of N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylcyclobutanecarboxamide?
N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylcyclobutanecarboxamide has a molecular weight of 325.81 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 166605987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).