1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone

C18H27N3O2 — CID 135224933

IUPAC1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone
SMILESCCN1CCN(C(=O)C(c2ccccc2)N2CCOCC2)CC1
InChIInChI=1S/C18H27N3O2/c1-2-19-8-10-21(11-9-19)18(22)17(16-6-4-3-5-7-16)20-12-14-23-15-13-20/h3-7,17H,2,8-15H2,1H3
InChIKeyVBKRWHZCTDQOGQ-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.22
Rot. Bonds4

About 1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone

1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone (PubChem CID 135224933) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone
PubChem CID135224933
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone
SMILESCCN1CCN(C(=O)C(c2ccccc2)N2CCOCC2)CC1
InChIInChI=1S/C18H27N3O2/c1-2-19-8-10-21(11-9-19)18(22)17(16-6-4-3-5-7-16)20-12-14-23-15-13-20/h3-7,17H,2,8-15H2,1H3
InChIKeyVBKRWHZCTDQOGQ-UHFFFAOYSA-N
XLogP1.22
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248
1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone
CID 2303179
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
CID 55412944
2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 86915510
2-(4-hydroxypiperidin-1-yl)-1-morpholin-4-yl-2-phenylethanone
CID 42886214
(2S)-1-morpholin-4-yl-2-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 30955979
(2S)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
CID 30624445
1-morpholin-4-yl-1-phenylheptan-2-one
CID 102574890
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
CID 43013060
2-[4-(3-methylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
CID 18124629

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone (CID 135224933) is 1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone is CCN1CCN(C(=O)C(c2ccccc2)N2CCOCC2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone?
The InChIKey is VBKRWHZCTDQOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-2-19-8-10-21(11-9-19)18(22)17(16-6-4-3-5-7-16)20-12-14-23-15-13-20/h3-7,17H,2,8-15H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone?
1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone has a molecular weight of 317.43 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone is sourced from PubChem (CID 135224933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).