1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-propylpiperidine-4-carboxamide

C19H23FN4O — CID 53005508

IUPAC1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1
InChIInChI=1S/C19H23FN4O/c1-2-9-21-19(25)15-7-10-24(11-8-15)18-12-17(22-13-23-18)14-3-5-16(20)6-4-14/h3-6,12-13,15H,2,7-11H2,1H3,(H,21,25)
InChIKeyCBRFLKCKHKUXRX-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.03
Rot. Bonds5

About 1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-propylpiperidine-4-carboxamide

1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-propylpiperidine-4-carboxamide (PubChem CID 53005508) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-propylpiperidine-4-carboxamide
PubChem CID53005508
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1
InChIInChI=1S/C19H23FN4O/c1-2-9-21-19(25)15-7-10-24(11-8-15)18-12-17(22-13-23-18)14-3-5-16(20)6-4-14/h3-6,12-13,15H,2,7-11H2,1H3,(H,21,25)
InChIKeyCBRFLKCKHKUXRX-UHFFFAOYSA-N
XLogP3.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-hexylpiperidine-4-carboxamide
CID 53005503
N-(3-ethoxypropyl)-1-[6-(4-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53005507
N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53061994
1-(6-phenylpyrimidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 53062035
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53061964
N-(3-ethoxypropyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062132
N-[3-(diethylamino)propyl]-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062200
N-butyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062056
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 53061970
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]piperidine-4-carboxamide
CID 121072176
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 90519423
N-[(4-methylsulfanylphenyl)methyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062037

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-propylpiperidine-4-carboxamide (CID 53005508) is 1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1.
What is the InChIKey of 1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-propylpiperidine-4-carboxamide?
The InChIKey is CBRFLKCKHKUXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-2-9-21-19(25)15-7-10-24(11-8-15)18-12-17(22-13-23-18)14-3-5-16(20)6-4-14/h3-6,12-13,15H,2,7-11H2,1H3,(H,21,25).
What are the key properties of 1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-propylpiperidine-4-carboxamide?
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-propylpiperidine-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 53005508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).