1-(6-amino-5-fluoropyrimidin-4-yl)-3-(3-amino-2-oxopiperidin-1-yl)piperidine-4-carboxamide

C15H22FN7O2 — CID 123719506

IUPAC1-(6-amino-5-fluoropyrimidin-4-yl)-3-(3-amino-2-oxopiperidin-1-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncnc(N)c2F)CC1N1CCCC(N)C1=O
InChIInChI=1S/C15H22FN7O2/c16-11-12(18)20-7-21-14(11)22-5-3-8(13(19)24)10(6-22)23-4-1-2-9(17)15(23)25/h7-10H,1-6,17H2,(H2,19,24)(H2,18,20,21)
InChIKeyOYNBVISYWPDINN-UHFFFAOYSA-N
MW351.39 g/mol
LogP-1.17
Rot. Bonds3

About 1-(6-amino-5-fluoropyrimidin-4-yl)-3-(3-amino-2-oxopiperidin-1-yl)piperidine-4-carboxamide

1-(6-amino-5-fluoropyrimidin-4-yl)-3-(3-amino-2-oxopiperidin-1-yl)piperidine-4-carboxamide (PubChem CID 123719506) has the molecular formula C15H22FN7O2 and a molecular weight of 351.39 g/mol. Its IUPAC name is 1-(6-amino-5-fluoropyrimidin-4-yl)-3-(3-amino-2-oxopiperidin-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-amino-5-fluoropyrimidin-4-yl)-3-(3-amino-2-oxopiperidin-1-yl)piperidine-4-carboxamide
PubChem CID123719506
Molecular FormulaC15H22FN7O2
Molecular Weight351.39 g/mol
Exact Mass351.18
IUPAC Name1-(6-amino-5-fluoropyrimidin-4-yl)-3-(3-amino-2-oxopiperidin-1-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncnc(N)c2F)CC1N1CCCC(N)C1=O
InChIInChI=1S/C15H22FN7O2/c16-11-12(18)20-7-21-14(11)22-5-3-8(13(19)24)10(6-22)23-4-1-2-9(17)15(23)25/h7-10H,1-6,17H2,(H2,19,24)(H2,18,20,21)
InChIKeyOYNBVISYWPDINN-UHFFFAOYSA-N
XLogP-1.17
TPSA144.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-(6-amino-5-fluoropyrimidin-4-yl)-3-(3-amino-2-oxopiperidin-1-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-fluoropyrimidin-4-yl)-3-(3-amino-2-oxopiperidin-1-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-amino-5-fluoropyrimidin-4-yl)-3-(3-amino-2-oxopiperidin-1-yl)piperidine-4-carboxamide (CID 123719506) is 1-(6-amino-5-fluoropyrimidin-4-yl)-3-(3-amino-2-oxopiperidin-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-amino-5-fluoropyrimidin-4-yl)-3-(3-amino-2-oxopiperidin-1-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-amino-5-fluoropyrimidin-4-yl)-3-(3-amino-2-oxopiperidin-1-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2ncnc(N)c2F)CC1N1CCCC(N)C1=O.
What is the InChIKey of 1-(6-amino-5-fluoropyrimidin-4-yl)-3-(3-amino-2-oxopiperidin-1-yl)piperidine-4-carboxamide?
The InChIKey is OYNBVISYWPDINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN7O2/c16-11-12(18)20-7-21-14(11)22-5-3-8(13(19)24)10(6-22)23-4-1-2-9(17)15(23)25/h7-10H,1-6,17H2,(H2,19,24)(H2,18,20,21).
What are the key properties of 1-(6-amino-5-fluoropyrimidin-4-yl)-3-(3-amino-2-oxopiperidin-1-yl)piperidine-4-carboxamide?
1-(6-amino-5-fluoropyrimidin-4-yl)-3-(3-amino-2-oxopiperidin-1-yl)piperidine-4-carboxamide has a molecular weight of 351.39 g/mol, XLogP of -1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-fluoropyrimidin-4-yl)-3-(3-amino-2-oxopiperidin-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 123719506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).