2-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide

C15H20ClN3O3 — CID 60588635

IUPAC2-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)c2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C15H20ClN3O3/c1-17-14(20)10-18-5-7-19(8-6-18)15(21)12-9-11(16)3-4-13(12)22-2/h3-4,9H,5-8,10H2,1-2H3,(H,17,20)
InChIKeyDEXYMYBPGNAUNN-UHFFFAOYSA-N
MW325.80 g/mol
LogP0.85
Rot. Bonds4

About 2-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide

2-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 60588635) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide
PubChem CID60588635
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name2-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)c2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C15H20ClN3O3/c1-17-14(20)10-18-5-7-19(8-6-18)15(21)12-9-11(16)3-4-13(12)22-2/h3-4,9H,5-8,10H2,1-2H3,(H,17,20)
InChIKeyDEXYMYBPGNAUNN-UHFFFAOYSA-N
XLogP0.85
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(5-chloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803250
2-[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55622870
N'-[2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]acetyl]-3,4-dimethoxybenzohydrazide
CID 55842315
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80666336
[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 108535373
1-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]butan-1-one
CID 110799983
[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 33000048
2-[4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-methylacetamide
CID 78801291
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 37445813
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 55739673
butyl 4-(5-chloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 108568498
3-chloro-1-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 108568491

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide (CID 60588635) is 2-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(C(=O)c2cc(Cl)ccc2OC)CC1.
What is the InChIKey of 2-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is DEXYMYBPGNAUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-17-14(20)10-18-5-7-19(8-6-18)15(21)12-9-11(16)3-4-13(12)22-2/h3-4,9H,5-8,10H2,1-2H3,(H,17,20).
What are the key properties of 2-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide?
2-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 325.80 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 60588635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).