N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide

C16H21ClFN3O — CID 171335489

IUPACN-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)C1CCN(c2ncc(Cl)cc2F)CC1
InChIInChI=1S/C16H21ClFN3O/c1-20(16(22)11-3-2-4-11)13-5-7-21(8-6-13)15-14(18)9-12(17)10-19-15/h9-11,13H,2-8H2,1H3
InChIKeyMTNXMLCNNHVFRT-UHFFFAOYSA-N
MW325.81 g/mol
LogP3.10
Rot. Bonds3

About N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide

N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide (PubChem CID 171335489) 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-4-yl]-N-methylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
PubChem CID171335489
Molecular FormulaC16H21ClFN3O
Molecular Weight325.81 g/mol
Exact Mass325.14
IUPAC NameN-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)C1CCN(c2ncc(Cl)cc2F)CC1
InChIInChI=1S/C16H21ClFN3O/c1-20(16(22)11-3-2-4-11)13-5-7-21(8-6-13)15-14(18)9-12(17)10-19-15/h9-11,13H,2-8H2,1H3
InChIKeyMTNXMLCNNHVFRT-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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Related Compounds

N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
CID 166605987
1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-4-carboxamide
CID 79727259
5-chloro-3-fluoro-2-(4-propan-2-ylpiperidin-1-yl)pyridine
CID 58431434
N-[1-(5-chloropyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide
CID 172890939
1-(3-bromo-5-chloro-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 171690791
N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
CID 171691551
1-(5-chloro-3-fluoro-2-pyridinyl)-4-cyclopentylpiperazine
CID 79728091
2-(4-bromo-3-methylpiperidin-1-yl)-5-chloro-3-fluoropyridine
CID 114682797
1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpiperidin-4-amine
CID 79867696
N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335566
N-(2-aminoethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-3-carboxamide
CID 79727350
5-chloro-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 163344044

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide?
The IUPAC name of N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide (CID 171335489) is N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide.
What is the SMILES notation for N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide?
The canonical SMILES for N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide is CN(C(=O)C1CCC1)C1CCN(c2ncc(Cl)cc2F)CC1.
What is the InChIKey of N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide?
The InChIKey is MTNXMLCNNHVFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFN3O/c1-20(16(22)11-3-2-4-11)13-5-7-21(8-6-13)15-14(18)9-12(17)10-19-15/h9-11,13H,2-8H2,1H3.
What are the key properties of N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide?
N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-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-4-yl]-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 171335489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).