1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide

C24H25FN4O2 — CID 53151343

IUPAC1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESCc1cccc(Oc2cc(N3CCC(C(=O)Nc4cccc(F)c4)CC3)ncn2)c1C
InChIInChI=1S/C24H25FN4O2/c1-16-5-3-8-21(17(16)2)31-23-14-22(26-15-27-23)29-11-9-18(10-12-29)24(30)28-20-7-4-6-19(25)13-20/h3-8,13-15,18H,9-12H2,1-2H3,(H,28,30)
InChIKeySDSASBMBNAGVHA-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.88
Rot. Bonds5

About 1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide

1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide (PubChem CID 53151343) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide
PubChem CID53151343
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESCc1cccc(Oc2cc(N3CCC(C(=O)Nc4cccc(F)c4)CC3)ncn2)c1C
InChIInChI=1S/C24H25FN4O2/c1-16-5-3-8-21(17(16)2)31-23-14-22(26-15-27-23)29-11-9-18(10-12-29)24(30)28-20-7-4-6-19(25)13-20/h3-8,13-15,18H,9-12H2,1-2H3,(H,28,30)
InChIKeySDSASBMBNAGVHA-UHFFFAOYSA-N
XLogP4.88
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600324
N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520304
N-(3-methoxyphenyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062144
1-(5-cyano-2-pyridinyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 16588046
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53061964
N-(3-chloro-4-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892451
N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170437
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062203
N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 802933
N-(2,4-dimethylphenyl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062234
N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025334
1-(3-fluorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea
CID 90545095

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide (CID 53151343) is 1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide is Cc1cccc(Oc2cc(N3CCC(C(=O)Nc4cccc(F)c4)CC3)ncn2)c1C.
What is the InChIKey of 1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is SDSASBMBNAGVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-16-5-3-8-21(17(16)2)31-23-14-22(26-15-27-23)29-11-9-18(10-12-29)24(30)28-20-7-4-6-19(25)13-20/h3-8,13-15,18H,9-12H2,1-2H3,(H,28,30).
What are the key properties of 1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide?
1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 53151343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).