1-[4-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone

C23H28FN5O2 — CID 110266954

IUPAC1-[4-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCCCC2c2nc(N)ncc2-c2ccccc2F)CC1
InChIInChI=1S/C23H28FN5O2/c1-15(30)28-12-9-16(10-13-28)22(31)29-11-5-4-8-20(29)21-18(14-26-23(25)27-21)17-6-2-3-7-19(17)24/h2-3,6-7,14,16,20H,4-5,8-13H2,1H3,(H2,25,26,27)
InChIKeyLOULHCSSDUNBTD-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.18
Rot. Bonds3

About 1-[4-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone

1-[4-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 110266954) has the molecular formula C23H28FN5O2 and a molecular weight of 425.51 g/mol. Its IUPAC name is 1-[4-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID110266954
Molecular FormulaC23H28FN5O2
Molecular Weight425.51 g/mol
Exact Mass425.22
IUPAC Name1-[4-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCCCC2c2nc(N)ncc2-c2ccccc2F)CC1
InChIInChI=1S/C23H28FN5O2/c1-15(30)28-12-9-16(10-13-28)22(31)29-11-5-4-8-20(29)21-18(14-26-23(25)27-21)17-6-2-3-7-19(17)24/h2-3,6-7,14,16,20H,4-5,8-13H2,1H3,(H2,25,26,27)
InChIKeyLOULHCSSDUNBTD-UHFFFAOYSA-N
XLogP3.18
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(2R)-2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 95827720
[(2S)-2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95837127
1-[(2R)-2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95836966
1-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 110267007
1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 110266748
[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 110253139
[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone
CID 95836927
[(2S)-2-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 95837225
[(2S)-2-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
CID 95837004
[(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95836745
[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 95836728
[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 110266755

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone (CID 110266954) is 1-[4-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCCCC2c2nc(N)ncc2-c2ccccc2F)CC1.
What is the InChIKey of 1-[4-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is LOULHCSSDUNBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O2/c1-15(30)28-12-9-16(10-13-28)22(31)29-11-5-4-8-20(29)21-18(14-26-23(25)27-21)17-6-2-3-7-19(17)24/h2-3,6-7,14,16,20H,4-5,8-13H2,1H3,(H2,25,26,27).
What are the key properties of 1-[4-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 425.51 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110266954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).