1-[1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]piperidin-2-one

C14H20FN5O — CID 134504097

IUPAC1-[1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]piperidin-2-one
SMILESNc1ncnc(N2CCCC(N3CCCCC3=O)C2)c1F
InChIInChI=1S/C14H20FN5O/c15-12-13(16)17-9-18-14(12)19-6-3-4-10(8-19)20-7-2-1-5-11(20)21/h9-10H,1-8H2,(H2,16,17,18)
InChIKeyBKZIYVRRNIILSX-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.18
Rot. Bonds2

About 1-[1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]piperidin-2-one

1-[1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]piperidin-2-one (PubChem CID 134504097) has the molecular formula C14H20FN5O and a molecular weight of 293.35 g/mol. Its IUPAC name is 1-[1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]piperidin-2-one
PubChem CID134504097
Molecular FormulaC14H20FN5O
Molecular Weight293.35 g/mol
Exact Mass293.17
IUPAC Name1-[1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]piperidin-2-one
SMILESNc1ncnc(N2CCCC(N3CCCCC3=O)C2)c1F
InChIInChI=1S/C14H20FN5O/c15-12-13(16)17-9-18-14(12)19-6-3-4-10(8-19)20-7-2-1-5-11(20)21/h9-10H,1-8H2,(H2,16,17,18)
InChIKeyBKZIYVRRNIILSX-UHFFFAOYSA-N
XLogP1.18
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-[(4,4-difluorocyclohexyl)amino]piperidin-2-one
CID 67034921
1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(2,2-dimethylpropylamino)piperidin-2-one
CID 67035136
1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(cyclohexylmethylamino)piperidin-2-one
CID 67972046
1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(tert-butylamino)piperidin-2-one
CID 67972594
5-fluoro-N-methyl-2-{4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazinyl}-4-pyrimidinamine
CID 72914240
1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-[cyclohexyl(methyl)amino]piperidin-2-one
CID 67034688
1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)-2-oxopiperidin-3-yl]-3-[(4,4-difluorocyclohexyl)amino]piperidin-2-one
CID 67034924
1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)-2-oxopiperidin-3-yl]-3-(2,2-dimethylpropylamino)piperidin-2-one
CID 67035137
1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)-2-oxopiperidin-3-yl]-3-(cyclohexylmethylamino)piperidin-2-one
CID 67972045
1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)-2-oxopiperidin-3-yl]-3-(tert-butylamino)piperidin-2-one
CID 67972595
1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(methylamino)piperidin-2-one
CID 68384791
1-[1-(6-Amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-[(4,4-difluorocyclohexyl)amino]piperidin-2-one
CID 77249585

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]piperidin-2-one?
The IUPAC name of 1-[1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]piperidin-2-one (CID 134504097) is 1-[1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]piperidin-2-one.
What is the SMILES notation for 1-[1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]piperidin-2-one?
The canonical SMILES for 1-[1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]piperidin-2-one is Nc1ncnc(N2CCCC(N3CCCCC3=O)C2)c1F.
What is the InChIKey of 1-[1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]piperidin-2-one?
The InChIKey is BKZIYVRRNIILSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5O/c15-12-13(16)17-9-18-14(12)19-6-3-4-10(8-19)20-7-2-1-5-11(20)21/h9-10H,1-8H2,(H2,16,17,18).
What are the key properties of 1-[1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]piperidin-2-one?
1-[1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]piperidin-2-one has a molecular weight of 293.35 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]piperidin-2-one is sourced from PubChem (CID 134504097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).