3-methyl-1-(6-methylpyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide

C20H26N4O — CID 110100192

IUPAC3-methyl-1-(6-methylpyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCc1cc(N2CCCC(C)(C(=O)NCCc3ccccc3)C2)ncn1
InChIInChI=1S/C20H26N4O/c1-16-13-18(23-15-22-16)24-12-6-10-20(2,14-24)19(25)21-11-9-17-7-4-3-5-8-17/h3-5,7-8,13,15H,6,9-12,14H2,1-2H3,(H,21,25)
InChIKeyCERCCOXCXDUOSE-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.75
Rot. Bonds5

About 3-methyl-1-(6-methylpyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide

3-methyl-1-(6-methylpyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 110100192) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-methyl-1-(6-methylpyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-1-(6-methylpyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID110100192
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name3-methyl-1-(6-methylpyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCc1cc(N2CCCC(C)(C(=O)NCCc3ccccc3)C2)ncn1
InChIInChI=1S/C20H26N4O/c1-16-13-18(23-15-22-16)24-12-6-10-20(2,14-24)19(25)21-11-9-17-7-4-3-5-8-17/h3-5,7-8,13,15H,6,9-12,14H2,1-2H3,(H,21,25)
InChIKeyCERCCOXCXDUOSE-UHFFFAOYSA-N
XLogP2.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-methylpyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 3-methyl-1-(6-methylpyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide (CID 110100192) is 3-methyl-1-(6-methylpyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-1-(6-methylpyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-1-(6-methylpyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide is Cc1cc(N2CCCC(C)(C(=O)NCCc3ccccc3)C2)ncn1.
What is the InChIKey of 3-methyl-1-(6-methylpyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is CERCCOXCXDUOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16-13-18(23-15-22-16)24-12-6-10-20(2,14-24)19(25)21-11-9-17-7-4-3-5-8-17/h3-5,7-8,13,15H,6,9-12,14H2,1-2H3,(H,21,25).
What are the key properties of 3-methyl-1-(6-methylpyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
3-methyl-1-(6-methylpyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-methylpyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 110100192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).