1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidine-4-carboxamide

C14H22FN5O2 — CID 122570506

IUPAC1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidine-4-carboxamide
SMILESCOc1nc(NCCCN2CCC(C(N)=O)CC2)ncc1F
InChIInChI=1S/C14H22FN5O2/c1-22-13-11(15)9-18-14(19-13)17-5-2-6-20-7-3-10(4-8-20)12(16)21/h9-10H,2-8H2,1H3,(H2,16,21)(H,17,18,19)
InChIKeyUVBQKJBZGVBSDD-UHFFFAOYSA-N
MW311.36 g/mol
LogP0.62
Rot. Bonds7

About 1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidine-4-carboxamide

1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidine-4-carboxamide (PubChem CID 122570506) has the molecular formula C14H22FN5O2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidine-4-carboxamide
PubChem CID122570506
Molecular FormulaC14H22FN5O2
Molecular Weight311.36 g/mol
Exact Mass311.18
IUPAC Name1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidine-4-carboxamide
SMILESCOc1nc(NCCCN2CCC(C(N)=O)CC2)ncc1F
InChIInChI=1S/C14H22FN5O2/c1-22-13-11(15)9-18-14(19-13)17-5-2-6-20-7-3-10(4-8-20)12(16)21/h9-10H,2-8H2,1H3,(H2,16,21)(H,17,18,19)
InChIKeyUVBQKJBZGVBSDD-UHFFFAOYSA-N
XLogP0.62
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 32114116
2-[1-(5-Bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide
CID 72107527
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 125446685
N-[2-(4-Ethylpiperidin-1-YL)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 129608927
5-fluoro-N-[(1-isobutylpiperidin-4-yl)methyl]-4-methoxypyrimidin-2-amine
CID 129619994
5-fluoro-4-methoxy-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyrimidin-2-amine
CID 129621022
N-[(1-acetylpiperidin-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 129621793
(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide
CID 129624197
(2R)-1-N-(5-fluoro-4-methoxypyrimidin-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 164631265
5-fluoro-4-methoxy-N-[(3S)-1-methylpiperidin-3-yl]pyrimidin-2-amine
CID 164632907
(3S)-1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]piperidine-3-carboxamide
CID 171359925
Methyl 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate
CID 162376324

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidine-4-carboxamide (CID 122570506) is 1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidine-4-carboxamide is COc1nc(NCCCN2CCC(C(N)=O)CC2)ncc1F.
What is the InChIKey of 1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidine-4-carboxamide?
The InChIKey is UVBQKJBZGVBSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN5O2/c1-22-13-11(15)9-18-14(19-13)17-5-2-6-20-7-3-10(4-8-20)12(16)21/h9-10H,2-8H2,1H3,(H2,16,21)(H,17,18,19).
What are the key properties of 1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidine-4-carboxamide?
1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidine-4-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 122570506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).