N-(2-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-methylpyrimidine-5-carboxamide

C22H28N4O4 — CID 92639521

IUPACN-(2-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-methylpyrimidine-5-carboxamide
SMILESCOCCC(=O)N1CCC(c2ncc(C(=O)Nc3ccccc3OC)c(C)n2)CC1
InChIInChI=1S/C22H28N4O4/c1-15-17(22(28)25-18-6-4-5-7-19(18)30-3)14-23-21(24-15)16-8-11-26(12-9-16)20(27)10-13-29-2/h4-7,14,16H,8-13H2,1-3H3,(H,25,28)
InChIKeyXDODXOUWNOCLIE-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.79
Rot. Bonds7

About N-(2-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-methylpyrimidine-5-carboxamide

N-(2-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-methylpyrimidine-5-carboxamide (PubChem CID 92639521) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-methylpyrimidine-5-carboxamide
PubChem CID92639521
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC NameN-(2-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-methylpyrimidine-5-carboxamide
SMILESCOCCC(=O)N1CCC(c2ncc(C(=O)Nc3ccccc3OC)c(C)n2)CC1
InChIInChI=1S/C22H28N4O4/c1-15-17(22(28)25-18-6-4-5-7-19(18)30-3)14-23-21(24-15)16-8-11-26(12-9-16)20(27)10-13-29-2/h4-7,14,16H,8-13H2,1-3H3,(H,25,28)
InChIKeyXDODXOUWNOCLIE-UHFFFAOYSA-N
XLogP2.79
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-methylpyrimidine-5-carboxamide (CID 92639521) is N-(2-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-methylpyrimidine-5-carboxamide is COCCC(=O)N1CCC(c2ncc(C(=O)Nc3ccccc3OC)c(C)n2)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is XDODXOUWNOCLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-15-17(22(28)25-18-6-4-5-7-19(18)30-3)14-23-21(24-15)16-8-11-26(12-9-16)20(27)10-13-29-2/h4-7,14,16H,8-13H2,1-3H3,(H,25,28).
What are the key properties of N-(2-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-methylpyrimidine-5-carboxamide?
N-(2-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 92639521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).