2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide

C20H30N4O2 — CID 108507177

IUPAC2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide
SMILESCN1CCC(N(C)C(=O)C(=O)N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H30N4O2/c1-21-10-8-18(9-11-21)22(2)19(25)20(26)24-14-12-23(13-15-24)16-17-6-4-3-5-7-17/h3-7,18H,8-16H2,1-2H3
InChIKeyYZULICKDCRCJFY-UHFFFAOYSA-N
MW358.49 g/mol
LogP0.88
Rot. Bonds3

About 2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide

2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide (PubChem CID 108507177) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide
PubChem CID108507177
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide
SMILESCN1CCC(N(C)C(=O)C(=O)N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H30N4O2/c1-21-10-8-18(9-11-21)22(2)19(25)20(26)24-14-12-23(13-15-24)16-17-6-4-3-5-7-17/h3-7,18H,8-16H2,1-2H3
InChIKeyYZULICKDCRCJFY-UHFFFAOYSA-N
XLogP0.88
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
1-(4-benzylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 108504526
2-(4-benzylpiperazin-1-yl)-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide
CID 108516956
2-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-oxoacetamide
CID 108503636
N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)oxamide
CID 108505781
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide
CID 113115363
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide
CID 108507340
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878304
3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878325
2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 119441700
2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoacetic acid
CID 141207482
N-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 154801400

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide (CID 108507177) is 2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide is CN1CCC(N(C)C(=O)C(=O)N2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide?
The InChIKey is YZULICKDCRCJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-21-10-8-18(9-11-21)22(2)19(25)20(26)24-14-12-23(13-15-24)16-17-6-4-3-5-7-17/h3-7,18H,8-16H2,1-2H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide?
2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide has a molecular weight of 358.49 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide is sourced from PubChem (CID 108507177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).