2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-methylacetamide

C10H18ClN3O2 — CID 60953432

IUPAC2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)CCCl)CC1
InChIInChI=1S/C10H18ClN3O2/c1-12-9(15)8-13-4-6-14(7-5-13)10(16)2-3-11/h2-8H2,1H3,(H,12,15)
InChIKeyYAXLHYOJVYWKSA-UHFFFAOYSA-N
MW247.73 g/mol
LogP-0.49
Rot. Bonds4

About 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-methylacetamide

2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 60953432) has the molecular formula C10H18ClN3O2 and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-methylacetamide
PubChem CID60953432
Molecular FormulaC10H18ClN3O2
Molecular Weight247.73 g/mol
Exact Mass247.11
IUPAC Name2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)CCCl)CC1
InChIInChI=1S/C10H18ClN3O2/c1-12-9(15)8-13-4-6-14(7-5-13)10(16)2-3-11/h2-8H2,1H3,(H,12,15)
InChIKeyYAXLHYOJVYWKSA-UHFFFAOYSA-N
XLogP-0.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(chloroacetyl)piperazin-1-yl]-N-isopropylacetamide hydrochloride
CID 16196053
2-(4-(2-Chloroacetyl)piperazin-1-yl)-N-isopropylacetamide
CID 2560294
2-chloro-N-(1-oxo-1-(piperidin-1-yl)propan-2-yl)acetamide
CID 54592501
n2-Acetyl-n,n-bis(2-chloropropyl)alaninamide
CID 250333
4-(2-Chloro-acetyl)-3,3-dimethyl-piperazin-2-one
CID 1089067
4-(2,2-Dichloroacetyl)-3,6-dimethylpiperazin-2-one
CID 13125057
3-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
CID 60949951
4-(2-Chloro-2-fluoroacetyl)-3,5,6-trimethylpiperazin-2-one
CID 167908872
2-[4-(2-chloroacetyl)piperazin-1-yl]-N-propan-2-ylacetamide chloride
CID 49877035
3,6-Bis(chloromethyl)piperazine-2,5-dione
CID 321417
1-(3-Chloropropanoyl)piperazine
CID 12222718
1-(3-Chloropropanoyl)piperazine hydrochloride
CID 12222719

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-methylacetamide (CID 60953432) is 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(C(=O)CCCl)CC1.
What is the InChIKey of 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is YAXLHYOJVYWKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O2/c1-12-9(15)8-13-4-6-14(7-5-13)10(16)2-3-11/h2-8H2,1H3,(H,12,15).
What are the key properties of 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-methylacetamide?
2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 247.73 g/mol, XLogP of -0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 60953432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).