1-[4-[(5-chloropyrimidin-2-yl)-methylamino]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone

C18H20ClFN4O2 — CID 155941561

IUPAC1-[4-[(5-chloropyrimidin-2-yl)-methylamino]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
SMILESCN(c1ncc(Cl)cn1)C1CCN(C(=O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C18H20ClFN4O2/c1-23(18-21-10-13(19)11-22-18)15-6-8-24(9-7-15)17(25)12-26-16-4-2-14(20)3-5-16/h2-5,10-11,15H,6-9,12H2,1H3
InChIKeySQOLKAUYFZGTFP-UHFFFAOYSA-N
MW378.84 g/mol
LogP2.78
Rot. Bonds5

About 1-[4-[(5-chloropyrimidin-2-yl)-methylamino]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone

1-[4-[(5-chloropyrimidin-2-yl)-methylamino]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone (PubChem CID 155941561) has the molecular formula C18H20ClFN4O2 and a molecular weight of 378.84 g/mol. Its IUPAC name is 1-[4-[(5-chloropyrimidin-2-yl)-methylamino]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-[4-[(5-chloropyrimidin-2-yl)-methylamino]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
PubChem CID155941561
Molecular FormulaC18H20ClFN4O2
Molecular Weight378.84 g/mol
Exact Mass378.13
IUPAC Name1-[4-[(5-chloropyrimidin-2-yl)-methylamino]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
SMILESCN(c1ncc(Cl)cn1)C1CCN(C(=O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C18H20ClFN4O2/c1-23(18-21-10-13(19)11-22-18)15-6-8-24(9-7-15)17(25)12-26-16-4-2-14(20)3-5-16/h2-5,10-11,15H,6-9,12H2,1H3
InChIKeySQOLKAUYFZGTFP-UHFFFAOYSA-N
XLogP2.78
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(5-chloropyrimidin-2-yl)-methylamino]piperidin-1-yl]-2-(2,4-difluorophenyl)ethanone
CID 155800879
2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559642
2-(4-fluorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 66291676
1-[4-(1-cyclopropylethyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 110708825
N-(5-chloro-2-pyridinyl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide
CID 78896898
1-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-(4-fluorophenoxy)ethanone
CID 124855086
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 110817306
2-(4-fluorophenoxy)-1-[4-(pyridin-4-ylmethyl)piperidin-1-yl]ethanone
CID 110102862
2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809
2-(4-fluorophenoxy)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 125021789
N-cyclopropyl-N-ethyl-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 78877418

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloropyrimidin-2-yl)-methylamino]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone?
The IUPAC name of 1-[4-[(5-chloropyrimidin-2-yl)-methylamino]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone (CID 155941561) is 1-[4-[(5-chloropyrimidin-2-yl)-methylamino]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone.
What is the SMILES notation for 1-[4-[(5-chloropyrimidin-2-yl)-methylamino]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone?
The canonical SMILES for 1-[4-[(5-chloropyrimidin-2-yl)-methylamino]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone is CN(c1ncc(Cl)cn1)C1CCN(C(=O)COc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[(5-chloropyrimidin-2-yl)-methylamino]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone?
The InChIKey is SQOLKAUYFZGTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN4O2/c1-23(18-21-10-13(19)11-22-18)15-6-8-24(9-7-15)17(25)12-26-16-4-2-14(20)3-5-16/h2-5,10-11,15H,6-9,12H2,1H3.
What are the key properties of 1-[4-[(5-chloropyrimidin-2-yl)-methylamino]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone?
1-[4-[(5-chloropyrimidin-2-yl)-methylamino]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone has a molecular weight of 378.84 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chloropyrimidin-2-yl)-methylamino]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone is sourced from PubChem (CID 155941561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).