N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-methylformamide

C11H15FN4O — CID 145081266

IUPACN-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-methylformamide
SMILESCN(C=O)C1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C11H15FN4O/c1-15(8-17)10-2-4-16(5-3-10)11-13-6-9(12)7-14-11/h6-8,10H,2-5H2,1H3
InChIKeyCSCQJBDQIGNDGX-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.67
Rot. Bonds3

About N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-methylformamide

N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-methylformamide (PubChem CID 145081266) has the molecular formula C11H15FN4O and a molecular weight of 238.27 g/mol. Its IUPAC name is N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-methylformamide.

Molecular Properties

Compound NameN-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-methylformamide
PubChem CID145081266
Molecular FormulaC11H15FN4O
Molecular Weight238.27 g/mol
Exact Mass238.12
IUPAC NameN-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-methylformamide
SMILESCN(C=O)C1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C11H15FN4O/c1-15(8-17)10-2-4-16(5-3-10)11-13-6-9(12)7-14-11/h6-8,10H,2-5H2,1H3
InChIKeyCSCQJBDQIGNDGX-UHFFFAOYSA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
CID 95857556
4-(5-Fluoropyrimidin-2-yl)-3-propylpiperazin-2-one
CID 75514582
Ethyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate
CID 10264288
5-Fluoro-2-(4-methylpiperazin-1-yl)pyrimidine
CID 21363886
2-(4-Butylpiperazin-1-yl)-5-fluoropyrimidine
CID 21648978
4-(5-Fluoropyrimidin-2-yl)piperazine-1-carboxylic acid
CID 23149857
2-(4-Cyclohexylpiperazin-1-yl)-5-fluoropyrimidine
CID 57008328
1-(4-Cyclopentylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone
CID 57443029
N-tert-butyl-4-[(5-fluoropyrimidin-2-yl)oxy]piperidine-1-carboxamide
CID 57670242
5-Fluoro-2-{[1-(propan-2-yl)piperidin-4-yl]oxy}pyrimidine
CID 59361750
tert-butyl N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
CID 66799308
5-Fluoro-2-(2-propylpiperazin-1-yl)pyrimidine
CID 67923914

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-methylformamide?
The IUPAC name of N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-methylformamide (CID 145081266) is N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-methylformamide.
What is the SMILES notation for N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-methylformamide?
The canonical SMILES for N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-methylformamide is CN(C=O)C1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-methylformamide?
The InChIKey is CSCQJBDQIGNDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O/c1-15(8-17)10-2-4-16(5-3-10)11-13-6-9(12)7-14-11/h6-8,10H,2-5H2,1H3.
What are the key properties of N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-methylformamide?
N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-methylformamide has a molecular weight of 238.27 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-methylformamide is sourced from PubChem (CID 145081266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).