1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide

C21H28N4O2 — CID 90519423

IUPAC1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2cc(N3CCC(C(=O)NCC(C)C)CC3)ncn2)cc1
InChIInChI=1S/C21H28N4O2/c1-15(2)13-22-21(26)17-8-10-25(11-9-17)20-12-19(23-14-24-20)16-4-6-18(27-3)7-5-16/h4-7,12,14-15,17H,8-11,13H2,1-3H3,(H,22,26)
InChIKeyCUOLEAQFBUQGER-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.14
Rot. Bonds6

About 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide

1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 90519423) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID90519423
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2cc(N3CCC(C(=O)NCC(C)C)CC3)ncn2)cc1
InChIInChI=1S/C21H28N4O2/c1-15(2)13-22-21(26)17-8-10-25(11-9-17)20-12-19(23-14-24-20)16-4-6-18(27-3)7-5-16/h4-7,12,14-15,17H,8-11,13H2,1-3H3,(H,22,26)
InChIKeyCUOLEAQFBUQGER-UHFFFAOYSA-N
XLogP3.14
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 30361211
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90519455
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 53061970
N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519659
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519676
ethyl 4-[[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]benzoate
CID 90519480
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 90519570
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[2-[[4-(propanoylamino)benzoyl]amino]ethyl]piperidine-4-carboxamide
CID 90519662
N-(3,5-dimethoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062028
N-(4-bromo-2-fluorophenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519545
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-propylpiperidine-4-carboxamide
CID 53005508
1-(6-phenylpyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 53062051

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide (CID 90519423) is 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide is COc1ccc(-c2cc(N3CCC(C(=O)NCC(C)C)CC3)ncn2)cc1.
What is the InChIKey of 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is CUOLEAQFBUQGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15(2)13-22-21(26)17-8-10-25(11-9-17)20-12-19(23-14-24-20)16-4-6-18(27-3)7-5-16/h4-7,12,14-15,17H,8-11,13H2,1-3H3,(H,22,26).
What are the key properties of 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide?
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 90519423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).