4-[[1-(3-phenoxybenzoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide

C24H24N4O3 — CID 92637681

IUPAC4-[[1-(3-phenoxybenzoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
SMILESNC(=O)c1cncnc1CC1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C24H24N4O3/c25-23(29)21-15-26-16-27-22(21)13-17-9-11-28(12-10-17)24(30)18-5-4-8-20(14-18)31-19-6-2-1-3-7-19/h1-8,14-17H,9-13H2,(H2,25,29)
InChIKeyWVVIKGQYAHHONP-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.46
Rot. Bonds6

About 4-[[1-(3-phenoxybenzoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide

4-[[1-(3-phenoxybenzoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 92637681) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-[[1-(3-phenoxybenzoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[[1-(3-phenoxybenzoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
PubChem CID92637681
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name4-[[1-(3-phenoxybenzoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
SMILESNC(=O)c1cncnc1CC1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C24H24N4O3/c25-23(29)21-15-26-16-27-22(21)13-17-9-11-28(12-10-17)24(30)18-5-4-8-20(14-18)31-19-6-2-1-3-7-19/h1-8,14-17H,9-13H2,(H2,25,29)
InChIKeyWVVIKGQYAHHONP-UHFFFAOYSA-N
XLogP3.46
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(3-phenoxyphenyl)methanone
CID 126782744
[3-(aminomethyl)azetidin-1-yl]-(3-phenoxyphenyl)methanone
CID 71730904
N-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide
CID 55815692
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-phenoxybenzoate
CID 23909728
(3-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 5137959
(7-methyl-1-oxo-1,4-thiazepan-4-yl)-(3-phenoxyphenyl)methanone
CID 166228281
6-[[(4S)-1-benzoylazepan-4-yl]methyl]pyrimidine-4-carboxamide
CID 124986245
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
(3-aminopyrrolidin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone;dihydrochloride
CID 119482802
[2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
CID 119467327
[3-(aminomethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 154911472
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-phenoxybenzoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-[[1-(3-phenoxybenzoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide (CID 92637681) is 4-[[1-(3-phenoxybenzoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[[1-(3-phenoxybenzoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[[1-(3-phenoxybenzoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide is NC(=O)c1cncnc1CC1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1.
What is the InChIKey of 4-[[1-(3-phenoxybenzoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is WVVIKGQYAHHONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c25-23(29)21-15-26-16-27-22(21)13-17-9-11-28(12-10-17)24(30)18-5-4-8-20(14-18)31-19-6-2-1-3-7-19/h1-8,14-17H,9-13H2,(H2,25,29).
What are the key properties of 4-[[1-(3-phenoxybenzoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide?
4-[[1-(3-phenoxybenzoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-phenoxybenzoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 92637681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).