1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide

C21H27FN4O2 — CID 56574344

IUPAC1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(c2nccc(Oc3ccc(F)cc3)n2)C1
InChIInChI=1S/C21H27FN4O2/c1-3-5-15(2)24-20(27)16-6-4-13-26(14-16)21-23-12-11-19(25-21)28-18-9-7-17(22)8-10-18/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,24,27)
InChIKeyMBWZGKXDKNNMGE-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.93
Rot. Bonds7

About 1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide

1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide (PubChem CID 56574344) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide
PubChem CID56574344
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC Name1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(c2nccc(Oc3ccc(F)cc3)n2)C1
InChIInChI=1S/C21H27FN4O2/c1-3-5-15(2)24-20(27)16-6-4-13-26(14-16)21-23-12-11-19(25-21)28-18-9-7-17(22)8-10-18/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,24,27)
InChIKeyMBWZGKXDKNNMGE-UHFFFAOYSA-N
XLogP3.93
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 56574228
1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-4-methylazepane
CID 56574045
N-butan-2-yl-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 53006551
(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435435
(3S)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52508766
4-(4-fluorophenoxy)-2-[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine
CID 97314093
N-tert-butyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide
CID 166600760
(3R)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7436060
1-(4-fluoro-2-nitrophenyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 49431535
4-(4-fluorophenoxy)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine
CID 133315639
(3S)-N-butyl-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 93065789
1-(5-bromo-2-pyridinyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 133270425

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide (CID 56574344) is 1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide is CCCC(C)NC(=O)C1CCCN(c2nccc(Oc3ccc(F)cc3)n2)C1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide?
The InChIKey is MBWZGKXDKNNMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-3-5-15(2)24-20(27)16-6-4-13-26(14-16)21-23-12-11-19(25-21)28-18-9-7-17(22)8-10-18/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,24,27).
What are the key properties of 1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide?
1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 56574344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).