1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide

C19H24N4O2 — CID 3223253

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)cc1
InChIInChI=1S/C19H24N4O2/c1-13-12-14(2)21-19(20-13)23-10-8-15(9-11-23)18(24)22-16-4-6-17(25-3)7-5-16/h4-7,12,15H,8-11H2,1-3H3,(H,22,24)
InChIKeySETDKPWRFHVPLJ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.96
Rot. Bonds4

About 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 3223253) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
PubChem CID3223253
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)cc1
InChIInChI=1S/C19H24N4O2/c1-13-12-14(2)21-19(20-13)23-10-8-15(9-11-23)18(24)22-16-4-6-17(25-3)7-5-16/h4-7,12,15H,8-11H2,1-3H3,(H,22,24)
InChIKeySETDKPWRFHVPLJ-UHFFFAOYSA-N
XLogP2.96
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide (CID 3223253) is 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)cc1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is SETDKPWRFHVPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-12-14(2)21-19(20-13)23-10-8-15(9-11-23)18(24)22-16-4-6-17(25-3)7-5-16/h4-7,12,15H,8-11H2,1-3H3,(H,22,24).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 3223253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).