[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-fluorothiophen-2-yl)methanone

C18H21F2N3OS — CID 42605990

IUPAC[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-fluorothiophen-2-yl)methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)s3)CC2)nc1
InChIInChI=1S/C18H21F2N3OS/c1-13-2-3-14(22-10-13)11-21-12-18(20)6-8-23(9-7-18)17(24)15-4-5-16(19)25-15/h2-5,10,21H,6-9,11-12H2,1H3
InChIKeyMEQYWQORPSGCLF-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.32
Rot. Bonds5

About [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-fluorothiophen-2-yl)methanone

[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-fluorothiophen-2-yl)methanone (PubChem CID 42605990) has the molecular formula C18H21F2N3OS and a molecular weight of 365.45 g/mol. Its IUPAC name is [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-fluorothiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-fluorothiophen-2-yl)methanone
PubChem CID42605990
Molecular FormulaC18H21F2N3OS
Molecular Weight365.45 g/mol
Exact Mass365.14
IUPAC Name[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-fluorothiophen-2-yl)methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)s3)CC2)nc1
InChIInChI=1S/C18H21F2N3OS/c1-13-2-3-14(22-10-13)11-21-12-18(20)6-8-23(9-7-18)17(24)15-4-5-16(19)25-15/h2-5,10,21H,6-9,11-12H2,1H3
InChIKeyMEQYWQORPSGCLF-UHFFFAOYSA-N
XLogP3.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-fluorothiophen-2-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

N-[1-[(cyclohexylamino)-oxomethyl]cyclohexyl]-N-(thiophen-2-ylmethyl)-2-pyridinecarboxamide
CID 5236771
N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 573874
5-pyridin-2-yl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
CID 25182691
Benzo[b]thiophen-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606339
5-pyridin-2-yl-N-[(2R,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
CID 44402005
N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-5-(pyridin-2-yl)thiophene-2-carboxamide
CID 11983345
5-iodo-N-[(2R,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
CID 44402006
2-Pyridin-4-ylspiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one
CID 54764920
5-iodo-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
CID 71459156
5-phenyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
CID 71459157
N-[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]pyridine-3-carboxamide
CID 24818196
5-Ethyl-N-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24819750

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-fluorothiophen-2-yl)methanone?
The IUPAC name of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-fluorothiophen-2-yl)methanone (CID 42605990) is [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-fluorothiophen-2-yl)methanone.
What is the SMILES notation for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-fluorothiophen-2-yl)methanone?
The canonical SMILES for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-fluorothiophen-2-yl)methanone is Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)s3)CC2)nc1.
What is the InChIKey of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-fluorothiophen-2-yl)methanone?
The InChIKey is MEQYWQORPSGCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3OS/c1-13-2-3-14(22-10-13)11-21-12-18(20)6-8-23(9-7-18)17(24)15-4-5-16(19)25-15/h2-5,10,21H,6-9,11-12H2,1H3.
What are the key properties of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-fluorothiophen-2-yl)methanone?
[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-fluorothiophen-2-yl)methanone has a molecular weight of 365.45 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-fluorothiophen-2-yl)methanone is sourced from PubChem (CID 42605990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).