N-(2-ethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

C19H24N4O — CID 3223386

IUPACN-(2-ethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCCN(c2nccc(C)n2)C1
InChIInChI=1S/C19H24N4O/c1-3-15-7-4-5-9-17(15)22-18(24)16-8-6-12-23(13-16)19-20-11-10-14(2)21-19/h4-5,7,9-11,16H,3,6,8,12-13H2,1-2H3,(H,22,24)
InChIKeyMBSXNOVOZXJLHZ-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.20
Rot. Bonds4

About N-(2-ethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

N-(2-ethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 3223386) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID3223386
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-(2-ethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCCN(c2nccc(C)n2)C1
InChIInChI=1S/C19H24N4O/c1-3-15-7-4-5-9-17(15)22-18(24)16-8-6-12-23(13-16)19-20-11-10-14(2)21-19/h4-5,7,9-11,16H,3,6,8,12-13H2,1-2H3,(H,22,24)
InChIKeyMBSXNOVOZXJLHZ-UHFFFAOYSA-N
XLogP3.20
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (CID 3223386) is N-(2-ethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is CCc1ccccc1NC(=O)C1CCCN(c2nccc(C)n2)C1.
What is the InChIKey of N-(2-ethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is MBSXNOVOZXJLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-15-7-4-5-9-17(15)22-18(24)16-8-6-12-23(13-16)19-20-11-10-14(2)21-19/h4-5,7,9-11,16H,3,6,8,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-(2-ethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
N-(2-ethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 3223386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).