[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-piperazin-1-ylmethanone

C16H24FN5O — CID 143930920

IUPAC[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-piperazin-1-ylmethanone
SMILESNc1cc(CN2CCC(F)(C(=O)N3CCNCC3)CC2)ccn1
InChIInChI=1S/C16H24FN5O/c17-16(15(23)22-9-5-19-6-10-22)2-7-21(8-3-16)12-13-1-4-20-14(18)11-13/h1,4,11,19H,2-3,5-10,12H2,(H2,18,20)
InChIKeyWWEBSPHOMDFFGM-UHFFFAOYSA-N
MW321.40 g/mol
LogP0.40
Rot. Bonds3

About [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-piperazin-1-ylmethanone

[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-piperazin-1-ylmethanone (PubChem CID 143930920) has the molecular formula C16H24FN5O and a molecular weight of 321.40 g/mol. Its IUPAC name is [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-piperazin-1-ylmethanone
PubChem CID143930920
Molecular FormulaC16H24FN5O
Molecular Weight321.40 g/mol
Exact Mass321.20
IUPAC Name[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-piperazin-1-ylmethanone
SMILESNc1cc(CN2CCC(F)(C(=O)N3CCNCC3)CC2)ccn1
InChIInChI=1S/C16H24FN5O/c17-16(15(23)22-9-5-19-6-10-22)2-7-21(8-3-16)12-13-1-4-20-14(18)11-13/h1,4,11,19H,2-3,5-10,12H2,(H2,18,20)
InChIKeyWWEBSPHOMDFFGM-UHFFFAOYSA-N
XLogP0.40
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 15986947
[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;methane
CID 172965775
[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-[(2,4-difluoropent-4-enylamino)methylamino]piperidin-1-yl]methanone
CID 89125316
[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[(4E)-6-fluoro-4-methoxyiminospiro[3H-chromene-2,4'-piperidine]-1'-yl]methanone
CID 58334968
[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(5,6-difluoro-3-methyl-2-pyridin-2-yl-2H-benzimidazol-1-yl)piperidin-1-yl]methanone
CID 143495481
4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 155949375
[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-[(3,5-difluoro-2-pyridinyl)methylamino]piperidin-1-yl]methanone;3,5-difluoropyridine-2-carbaldehyde;3,5-difluoropyridine-2-carbonitrile
CID 158221618
N-[[1-[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidine-4-carbonyl]piperidin-4-yl]-(5-fluoro-2-pyridinyl)methyl]-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)acetamide
CID 58793952
[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(7-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone;tert-butyl N-[4-[[4-fluoro-4-[4-(7-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]carbamate
CID 161016282
[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-[fluoro-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-1-yl]methanone;tert-butyl 4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]-hydroxymethyl]piperidine-1-carboxylate;3-fluoro-4-(trifluoromethyl)pyridine
CID 162261562
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
CID 58335010
4-[(4-tert-butylpiperazin-1-yl)methyl]pyridin-2-amine
CID 62464864

Frequently Asked Questions

What is the IUPAC name of [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-piperazin-1-ylmethanone (CID 143930920) is [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-piperazin-1-ylmethanone is Nc1cc(CN2CCC(F)(C(=O)N3CCNCC3)CC2)ccn1.
What is the InChIKey of [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-piperazin-1-ylmethanone?
The InChIKey is WWEBSPHOMDFFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN5O/c17-16(15(23)22-9-5-19-6-10-22)2-7-21(8-3-16)12-13-1-4-20-14(18)11-13/h1,4,11,19H,2-3,5-10,12H2,(H2,18,20).
What are the key properties of [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-piperazin-1-ylmethanone?
[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-piperazin-1-ylmethanone has a molecular weight of 321.40 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 143930920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).