[4-(3-fluoro-5-methylpiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone

C17H31FN4O — CID 144642085

IUPAC[4-(3-fluoro-5-methylpiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCC1CNCC(F)C1N1CCN(C(=O)C2CCN(C)CC2)CC1
InChIInChI=1S/C17H31FN4O/c1-13-11-19-12-15(18)16(13)21-7-9-22(10-8-21)17(23)14-3-5-20(2)6-4-14/h13-16,19H,3-12H2,1-2H3
InChIKeyYRQKRCIEEFADTA-UHFFFAOYSA-N
MW326.46 g/mol
LogP0.42
Rot. Bonds2

About [4-(3-fluoro-5-methylpiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone

[4-(3-fluoro-5-methylpiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone (PubChem CID 144642085) has the molecular formula C17H31FN4O and a molecular weight of 326.46 g/mol. Its IUPAC name is [4-(3-fluoro-5-methylpiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-fluoro-5-methylpiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone
PubChem CID144642085
Molecular FormulaC17H31FN4O
Molecular Weight326.46 g/mol
Exact Mass326.25
IUPAC Name[4-(3-fluoro-5-methylpiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCC1CNCC(F)C1N1CCN(C(=O)C2CCN(C)CC2)CC1
InChIInChI=1S/C17H31FN4O/c1-13-11-19-12-15(18)16(13)21-7-9-22(10-8-21)17(23)14-3-5-20(2)6-4-14/h13-16,19H,3-12H2,1-2H3
InChIKeyYRQKRCIEEFADTA-UHFFFAOYSA-N
XLogP0.42
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-Methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one
CID 134789946
N-1-Azabicyclo[2.2.2]oct-3-ylacetamide
CID 5149592
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 53501869
N-[2-(3-methylpiperidin-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 53515968
2-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 127318912
4-[[1-(3-Amino-1,2-diethyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one
CID 123170390
N-ethyl-1-(3-fluoro-5-methylpiperidin-4-yl)piperidine-4-carboxamide
CID 123594714
1-[[1-(3-Amino-5-fluoro-1-hexylpiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one
CID 123656788
(3,3-Dimethylpiperazin-1-yl)-[1-(3-fluoro-5-methylpiperidin-4-yl)piperidin-4-yl]methanone
CID 123743708
1-[[1-(3-Amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
CID 123812716
(1-Tert-butylpiperidin-4-yl)-[4-[2-[(1-tert-butylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethyl-methylamino]piperidin-1-yl]methanone
CID 129149462
1-[[1-(3-Amino-5-fluoro-1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one
CID 130280123

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoro-5-methylpiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The IUPAC name of [4-(3-fluoro-5-methylpiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone (CID 144642085) is [4-(3-fluoro-5-methylpiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-(3-fluoro-5-methylpiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The canonical SMILES for [4-(3-fluoro-5-methylpiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone is CC1CNCC(F)C1N1CCN(C(=O)C2CCN(C)CC2)CC1.
What is the InChIKey of [4-(3-fluoro-5-methylpiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The InChIKey is YRQKRCIEEFADTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31FN4O/c1-13-11-19-12-15(18)16(13)21-7-9-22(10-8-21)17(23)14-3-5-20(2)6-4-14/h13-16,19H,3-12H2,1-2H3.
What are the key properties of [4-(3-fluoro-5-methylpiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone?
[4-(3-fluoro-5-methylpiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone has a molecular weight of 326.46 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoro-5-methylpiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 144642085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).