1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]piperidin-2-one

C20H29N3O3 — CID 70755856

IUPAC1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]piperidin-2-one
SMILESO=C1CCCCN1CCC(=O)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C20H29N3O3/c24-19-8-4-5-10-22(19)11-9-20(25)23-14-12-21(13-15-23)16-17-26-18-6-2-1-3-7-18/h1-3,6-7H,4-5,8-17H2
InChIKeyGZDYEJGWHSCQDZ-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.61
Rot. Bonds7

About 1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]piperidin-2-one

1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]piperidin-2-one (PubChem CID 70755856) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]piperidin-2-one.

Molecular Properties

Compound Name1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]piperidin-2-one
PubChem CID70755856
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]piperidin-2-one
SMILESO=C1CCCCN1CCC(=O)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C20H29N3O3/c24-19-8-4-5-10-22(19)11-9-20(25)23-14-12-21(13-15-23)16-17-26-18-6-2-1-3-7-18/h1-3,6-7H,4-5,8-17H2
InChIKeyGZDYEJGWHSCQDZ-UHFFFAOYSA-N
XLogP1.61
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenoxyethyl)azepan-2-one
CID 10513813
1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]pyridin-2-one
CID 78863276
4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 119833017
2-(2,3-dihydro-1H-inden-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 17421094
1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110638149
4,4,4-trifluoro-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 70730336
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113074785
1-[3-[4-(2-methylprop-2-enyl)piperazin-1-yl]-3-oxopropyl]piperidin-2-one
CID 131906919
3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 110398614
1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 39161575
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360
1-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 86977371

Frequently Asked Questions

What is the IUPAC name of 1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]piperidin-2-one?
The IUPAC name of 1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]piperidin-2-one (CID 70755856) is 1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]piperidin-2-one.
What is the SMILES notation for 1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]piperidin-2-one?
The canonical SMILES for 1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]piperidin-2-one is O=C1CCCCN1CCC(=O)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]piperidin-2-one?
The InChIKey is GZDYEJGWHSCQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c24-19-8-4-5-10-22(19)11-9-20(25)23-14-12-21(13-15-23)16-17-26-18-6-2-1-3-7-18/h1-3,6-7H,4-5,8-17H2.
What are the key properties of 1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]piperidin-2-one?
1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]piperidin-2-one has a molecular weight of 359.47 g/mol, XLogP of 1.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]piperidin-2-one is sourced from PubChem (CID 70755856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).