[6-(2-ethylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone

C23H30N4O — CID 112852964

IUPAC[6-(2-ethylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCCC1CCCCN1c1cc(C(=O)N2CCCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H30N4O/c1-2-19-13-7-10-16-27(19)21-17-20(23(28)26-14-8-4-9-15-26)24-22(25-21)18-11-5-3-6-12-18/h3,5-6,11-12,17,19H,2,4,7-10,13-16H2,1H3
InChIKeyIXGHSMXCSHFQES-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.54
Rot. Bonds4

About [6-(2-ethylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone

[6-(2-ethylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 112852964) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is [6-(2-ethylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(2-ethylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID112852964
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name[6-(2-ethylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCCC1CCCCN1c1cc(C(=O)N2CCCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H30N4O/c1-2-19-13-7-10-16-27(19)21-17-20(23(28)26-14-8-4-9-15-26)24-22(25-21)18-11-5-3-6-12-18/h3,5-6,11-12,17,19H,2,4,7-10,13-16H2,1H3
InChIKeyIXGHSMXCSHFQES-UHFFFAOYSA-N
XLogP4.54
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone
CID 112852618
[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365565
[6-(azepan-1-yl)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853497
6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine
CID 115915410
[6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 112852970
[4-(2-ethylpiperidin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203690
2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 43266682
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852741
[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112851698
(4-ethylpiperazin-1-yl)-[6-(3-methylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]methanone
CID 112853850
N-ethyl-6-(2-ethylpiperidin-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112847159
[5-(2-ethylpiperidin-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237515

Frequently Asked Questions

What is the IUPAC name of [6-(2-ethylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-(2-ethylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone (CID 112852964) is [6-(2-ethylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-(2-ethylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-(2-ethylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone is CCC1CCCCN1c1cc(C(=O)N2CCCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of [6-(2-ethylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is IXGHSMXCSHFQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-2-19-13-7-10-16-27(19)21-17-20(23(28)26-14-8-4-9-15-26)24-22(25-21)18-11-5-3-6-12-18/h3,5-6,11-12,17,19H,2,4,7-10,13-16H2,1H3.
What are the key properties of [6-(2-ethylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone?
[6-(2-ethylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 378.52 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-ethylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 112852964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).