1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide

C23H23FN4O2 — CID 53078019

IUPAC1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(c2ccnc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C23H23FN4O2/c1-30-20-5-3-2-4-19(20)26-23(29)17-11-14-28(15-12-17)21-10-13-25-22(27-21)16-6-8-18(24)9-7-16/h2-10,13,17H,11-12,14-15H2,1H3,(H,26,29)
InChIKeyHHWNMXRSGLVVMB-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.15
Rot. Bonds5

About 1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide

1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 53078019) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
PubChem CID53078019
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(c2ccnc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C23H23FN4O2/c1-30-20-5-3-2-4-19(20)26-23(29)17-11-14-28(15-12-17)21-10-13-25-22(27-21)16-6-8-18(24)9-7-16/h2-10,13,17H,11-12,14-15H2,1H3,(H,26,29)
InChIKeyHHWNMXRSGLVVMB-UHFFFAOYSA-N
XLogP4.15
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methylphenyl)piperidine-4-carboxamide
CID 53078012
1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 53078017
(3R)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 95069941
2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 46360654
N-(3,4-dimethoxyphenyl)-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53078117
2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 46360651
N-(2-methoxyphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384770
1-(2-fluorophenyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17152653
N-(4-fluoro-2-methoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 33284913
1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 50821845
N-(3-chloro-4-methoxyphenyl)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 53071336
N-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53078127

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (CID 53078019) is 1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(c2ccnc(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of 1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is HHWNMXRSGLVVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-30-20-5-3-2-4-19(20)26-23(29)17-11-14-28(15-12-17)21-10-13-25-22(27-21)16-6-8-18(24)9-7-16/h2-10,13,17H,11-12,14-15H2,1H3,(H,26,29).
What are the key properties of 1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 53078019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).