1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone

C18H34N4O3 — CID 119836738

IUPAC1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CCN(CC(=O)N2CC(C)CC(C)C2)CC1
InChIInChI=1S/C18H34N4O3/c1-15-10-16(2)13-22(12-15)18(24)14-20-5-7-21(8-6-20)17(23)11-19-4-9-25-3/h15-16,19H,4-14H2,1-3H3
InChIKeyUQJPCLPDIIOVKM-UHFFFAOYSA-N
MW354.50 g/mol
LogP-0.13
Rot. Bonds7

About 1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone

1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone (PubChem CID 119836738) has the molecular formula C18H34N4O3 and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone.

Molecular Properties

Compound Name1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone
PubChem CID119836738
Molecular FormulaC18H34N4O3
Molecular Weight354.50 g/mol
Exact Mass354.26
IUPAC Name1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CCN(CC(=O)N2CC(C)CC(C)C2)CC1
InChIInChI=1S/C18H34N4O3/c1-15-10-16(2)13-22(12-15)18(24)14-20-5-7-21(8-6-20)17(23)11-19-4-9-25-3/h15-16,19H,4-14H2,1-3H3
InChIKeyUQJPCLPDIIOVKM-UHFFFAOYSA-N
XLogP-0.13
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethylamino)-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119836717
2-(2-methoxyethylamino)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 119851436
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101
2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
CID 78912437
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119831605
2-[[[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110038469
2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 79270934
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281707
ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate
CID 71628424
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-(2-methoxyethylamino)acetamide
CID 119863555
2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 79281462
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 107217441

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone?
The IUPAC name of 1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone (CID 119836738) is 1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone.
What is the SMILES notation for 1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone?
The canonical SMILES for 1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone is COCCNCC(=O)N1CCN(CC(=O)N2CC(C)CC(C)C2)CC1.
What is the InChIKey of 1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone?
The InChIKey is UQJPCLPDIIOVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O3/c1-15-10-16(2)13-22(12-15)18(24)14-20-5-7-21(8-6-20)17(23)11-19-4-9-25-3/h15-16,19H,4-14H2,1-3H3.
What are the key properties of 1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone?
1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone has a molecular weight of 354.50 g/mol, XLogP of -0.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone is sourced from PubChem (CID 119836738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).