1,3-dimethyl-4-[[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]piperazin-2-one

C20H29N3O3 — CID 56706210

IUPAC1,3-dimethyl-4-[[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]piperazin-2-one
SMILESCC1C(=O)N(C)CCN1Cc1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H29N3O3/c1-16-20(25)21(2)12-13-23(16)14-17-6-8-18(9-7-17)26-15-19(24)22-10-4-3-5-11-22/h6-9,16H,3-5,10-15H2,1-2H3
InChIKeyNALBQQXVNZKLLK-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.74
Rot. Bonds5

About 1,3-dimethyl-4-[[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]piperazin-2-one

1,3-dimethyl-4-[[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]piperazin-2-one (PubChem CID 56706210) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1,3-dimethyl-4-[[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-4-[[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]piperazin-2-one
PubChem CID56706210
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1,3-dimethyl-4-[[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]piperazin-2-one
SMILESCC1C(=O)N(C)CCN1Cc1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H29N3O3/c1-16-20(25)21(2)12-13-23(16)14-17-6-8-18(9-7-17)26-15-19(24)22-10-4-3-5-11-22/h6-9,16H,3-5,10-15H2,1-2H3
InChIKeyNALBQQXVNZKLLK-UHFFFAOYSA-N
XLogP1.74
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]-1-piperidin-1-ylethanone
CID 99947078
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 19169351
2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone
CID 54908646
2-[4-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 131909615
2-(4-ethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 134026639
2-[4-[[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 138380921
2-[4-(3-aminopropyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 170879092
4-[2-(4-ethoxyphenyl)acetyl]-1,3-dimethylpiperazin-2-one
CID 110741176
2-[4-(aminomethyl)phenoxy]-1-(4-methylazepan-1-yl)ethanone
CID 63622570

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]piperazin-2-one?
The IUPAC name of 1,3-dimethyl-4-[[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]piperazin-2-one (CID 56706210) is 1,3-dimethyl-4-[[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]piperazin-2-one.
What is the SMILES notation for 1,3-dimethyl-4-[[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]piperazin-2-one?
The canonical SMILES for 1,3-dimethyl-4-[[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]piperazin-2-one is CC1C(=O)N(C)CCN1Cc1ccc(OCC(=O)N2CCCCC2)cc1.
What is the InChIKey of 1,3-dimethyl-4-[[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]piperazin-2-one?
The InChIKey is NALBQQXVNZKLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-16-20(25)21(2)12-13-23(16)14-17-6-8-18(9-7-17)26-15-19(24)22-10-4-3-5-11-22/h6-9,16H,3-5,10-15H2,1-2H3.
What are the key properties of 1,3-dimethyl-4-[[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]piperazin-2-one?
1,3-dimethyl-4-[[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]piperazin-2-one has a molecular weight of 359.47 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]piperazin-2-one is sourced from PubChem (CID 56706210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).