(4-ethylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone

C17H27N5O — CID 53102147

IUPAC(4-ethylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone
SMILESCCN1CCN(C(=O)C2CCN(c3nccc(C)n3)CC2)CC1
InChIInChI=1S/C17H27N5O/c1-3-20-10-12-21(13-11-20)16(23)15-5-8-22(9-6-15)17-18-7-4-14(2)19-17/h4,7,15H,3,5-6,8-13H2,1-2H3
InChIKeyIJRSHRSWEUNGOB-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.17
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone

(4-ethylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone (PubChem CID 53102147) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone
PubChem CID53102147
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name(4-ethylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone
SMILESCCN1CCN(C(=O)C2CCN(c3nccc(C)n3)CC2)CC1
InChIInChI=1S/C17H27N5O/c1-3-20-10-12-21(13-11-20)16(23)15-5-8-22(9-6-15)17-18-7-4-14(2)19-17/h4,7,15H,3,5-6,8-13H2,1-2H3
InChIKeyIJRSHRSWEUNGOB-UHFFFAOYSA-N
XLogP1.17
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone (CID 53102147) is (4-ethylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone is CCN1CCN(C(=O)C2CCN(c3nccc(C)n3)CC2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone?
The InChIKey is IJRSHRSWEUNGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-3-20-10-12-21(13-11-20)16(23)15-5-8-22(9-6-15)17-18-7-4-14(2)19-17/h4,7,15H,3,5-6,8-13H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone?
(4-ethylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone has a molecular weight of 317.44 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 53102147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).