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

C28H25FN4O2 — CID 53078017

IUPAC1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(c2ccnc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C28H25FN4O2/c29-22-8-6-20(7-9-22)27-30-17-14-26(32-27)33-18-15-21(16-19-33)28(34)31-23-10-12-25(13-11-23)35-24-4-2-1-3-5-24/h1-14,17,21H,15-16,18-19H2,(H,31,34)
InChIKeyRNVXMCRLMSWXJR-UHFFFAOYSA-N
MW468.53 g/mol
LogP5.93
Rot. Bonds6

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

1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide (PubChem CID 53078017) has the molecular formula C28H25FN4O2 and a molecular weight of 468.53 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
PubChem CID53078017
Molecular FormulaC28H25FN4O2
Molecular Weight468.53 g/mol
Exact Mass468.20
IUPAC Name1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(c2ccnc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C28H25FN4O2/c29-22-8-6-20(7-9-22)27-30-17-14-26(32-27)33-18-15-21(16-19-33)28(34)31-23-10-12-25(13-11-23)35-24-4-2-1-3-5-24/h1-14,17,21H,15-16,18-19H2,(H,31,34)
InChIKeyRNVXMCRLMSWXJR-UHFFFAOYSA-N
XLogP5.93
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.53
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 53078019
1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methylphenyl)piperidine-4-carboxamide
CID 53078012
N-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53078059
N-(3,4-dimethoxyphenyl)-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53078117
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 90519570
N-(4-ethylphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53078051
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 53061970
1-[(4-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45014769
1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 53034149
N-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 53033873
N-(1,3-benzodioxol-5-yl)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 46331071
N-(3,5-dimethoxyphenyl)-1-[2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 89464821

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide (CID 53078017) is 1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(c2ccnc(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of 1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide?
The InChIKey is RNVXMCRLMSWXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O2/c29-22-8-6-20(7-9-22)27-30-17-14-26(32-27)33-18-15-21(16-19-33)28(34)31-23-10-12-25(13-11-23)35-24-4-2-1-3-5-24/h1-14,17,21H,15-16,18-19H2,(H,31,34).
What are the key properties of 1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide?
1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide has a molecular weight of 468.53 g/mol, XLogP of 5.93, 6 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-(4-phenoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 53078017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).