1-[3-[4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone

C17H31N3O4 — CID 154748134

IUPAC1-[3-[4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCCOCC(O)CN1CCN(C(=O)C2CCCN(C(C)=O)C2)CC1
InChIInChI=1S/C17H31N3O4/c1-3-24-13-16(22)12-18-7-9-19(10-8-18)17(23)15-5-4-6-20(11-15)14(2)21/h15-16,22H,3-13H2,1-2H3
InChIKeyWHWPSTSJKAIAGS-UHFFFAOYSA-N
MW341.45 g/mol
LogP-0.21
Rot. Bonds6

About 1-[3-[4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone

1-[3-[4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 154748134) has the molecular formula C17H31N3O4 and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-[3-[4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID154748134
Molecular FormulaC17H31N3O4
Molecular Weight341.45 g/mol
Exact Mass341.23
IUPAC Name1-[3-[4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCCOCC(O)CN1CCN(C(=O)C2CCCN(C(C)=O)C2)CC1
InChIInChI=1S/C17H31N3O4/c1-3-24-13-16(22)12-18-7-9-19(10-8-18)17(23)15-5-4-6-20(11-15)14(2)21/h15-16,22H,3-13H2,1-2H3
InChIKeyWHWPSTSJKAIAGS-UHFFFAOYSA-N
XLogP-0.21
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 110686076
(4S)-4-[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazine-1-carbonyl]-1-methylpiperidin-2-one
CID 95613767
cyclohexyl-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]methanone
CID 110908182
ethyl (3R)-1-(3-ethoxy-2-hydroxypropyl)piperidine-3-carboxylate
CID 81338320
(3R)-3-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazine-1-carbonyl]piperidine-1-carboxamide
CID 95602082
[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95346797
(2R)-1-[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-2-methylbutan-1-one
CID 95613768
[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-cyclohexylmethanone
CID 82023468
cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82120186
1-[4-(2-hydroxy-3-phenylmethoxypropyl)-1,4-diazepan-1-yl]ethanone
CID 17471466
1-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]-1,4-diazepan-1-yl]ethanone
CID 95357999
1-ethoxy-3-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)propan-2-ol
CID 132971163

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone (CID 154748134) is 1-[3-[4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone is CCOCC(O)CN1CCN(C(=O)C2CCCN(C(C)=O)C2)CC1.
What is the InChIKey of 1-[3-[4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is WHWPSTSJKAIAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O4/c1-3-24-13-16(22)12-18-7-9-19(10-8-18)17(23)15-5-4-6-20(11-15)14(2)21/h15-16,22H,3-13H2,1-2H3.
What are the key properties of 1-[3-[4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
1-[3-[4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 341.45 g/mol, XLogP of -0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 154748134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).