1-(2-cyclohexylethyl)-3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypiperidin-2-one

C20H37N3O2 — CID 45179446

IUPAC1-(2-cyclohexylethyl)-3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypiperidin-2-one
SMILESCCN1CCN(CC2(O)CCCN(CCC3CCCCC3)C2=O)CC1
InChIInChI=1S/C20H37N3O2/c1-2-21-13-15-22(16-14-21)17-20(25)10-6-11-23(19(20)24)12-9-18-7-4-3-5-8-18/h18,25H,2-17H2,1H3
InChIKeyHJEBGIPVMLRWGC-UHFFFAOYSA-N
MW351.54 g/mol
LogP1.95
Rot. Bonds6

About 1-(2-cyclohexylethyl)-3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypiperidin-2-one

1-(2-cyclohexylethyl)-3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypiperidin-2-one (PubChem CID 45179446) has the molecular formula C20H37N3O2 and a molecular weight of 351.54 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypiperidin-2-one
PubChem CID45179446
Molecular FormulaC20H37N3O2
Molecular Weight351.54 g/mol
Exact Mass351.29
IUPAC Name1-(2-cyclohexylethyl)-3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypiperidin-2-one
SMILESCCN1CCN(CC2(O)CCCN(CCC3CCCCC3)C2=O)CC1
InChIInChI=1S/C20H37N3O2/c1-2-21-13-15-22(16-14-21)17-20(25)10-6-11-23(19(20)24)12-9-18-7-4-3-5-8-18/h18,25H,2-17H2,1H3
InChIKeyHJEBGIPVMLRWGC-UHFFFAOYSA-N
XLogP1.95
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypiperidin-2-one?
The IUPAC name of 1-(2-cyclohexylethyl)-3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypiperidin-2-one (CID 45179446) is 1-(2-cyclohexylethyl)-3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypiperidin-2-one.
What is the SMILES notation for 1-(2-cyclohexylethyl)-3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypiperidin-2-one?
The canonical SMILES for 1-(2-cyclohexylethyl)-3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypiperidin-2-one is CCN1CCN(CC2(O)CCCN(CCC3CCCCC3)C2=O)CC1.
What is the InChIKey of 1-(2-cyclohexylethyl)-3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypiperidin-2-one?
The InChIKey is HJEBGIPVMLRWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O2/c1-2-21-13-15-22(16-14-21)17-20(25)10-6-11-23(19(20)24)12-9-18-7-4-3-5-8-18/h18,25H,2-17H2,1H3.
What are the key properties of 1-(2-cyclohexylethyl)-3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypiperidin-2-one?
1-(2-cyclohexylethyl)-3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypiperidin-2-one has a molecular weight of 351.54 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypiperidin-2-one is sourced from PubChem (CID 45179446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).