4-(2-chloropropanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide

C17H24ClN3O2 — CID 146086120

IUPAC4-(2-chloropropanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
SMILESCC(Cl)C(=O)Nc1ccc(C(=O)N(C)C2CCCN(C)C2)cc1
InChIInChI=1S/C17H24ClN3O2/c1-12(18)16(22)19-14-8-6-13(7-9-14)17(23)21(3)15-5-4-10-20(2)11-15/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,19,22)
InChIKeyNUVFOHWNMAAREE-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.42
Rot. Bonds4

About 4-(2-chloropropanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide

4-(2-chloropropanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide (PubChem CID 146086120) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 4-(2-chloropropanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-(2-chloropropanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
PubChem CID146086120
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name4-(2-chloropropanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
SMILESCC(Cl)C(=O)Nc1ccc(C(=O)N(C)C2CCCN(C)C2)cc1
InChIInChI=1S/C17H24ClN3O2/c1-12(18)16(22)19-14-8-6-13(7-9-14)17(23)21(3)15-5-4-10-20(2)11-15/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,19,22)
InChIKeyNUVFOHWNMAAREE-UHFFFAOYSA-N
XLogP2.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloropropanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide?
The IUPAC name of 4-(2-chloropropanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide (CID 146086120) is 4-(2-chloropropanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 4-(2-chloropropanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 4-(2-chloropropanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide is CC(Cl)C(=O)Nc1ccc(C(=O)N(C)C2CCCN(C)C2)cc1.
What is the InChIKey of 4-(2-chloropropanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide?
The InChIKey is NUVFOHWNMAAREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-12(18)16(22)19-14-8-6-13(7-9-14)17(23)21(3)15-5-4-10-20(2)11-15/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,19,22).
What are the key properties of 4-(2-chloropropanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide?
4-(2-chloropropanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide has a molecular weight of 337.85 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloropropanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 146086120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).