2-chloro-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide

C12H23ClN2O — CID 115162294

IUPAC2-chloro-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide
SMILESCN1CCC(C(C)(C)CNC(=O)CCl)CC1
InChIInChI=1S/C12H23ClN2O/c1-12(2,9-14-11(16)8-13)10-4-6-15(3)7-5-10/h10H,4-9H2,1-3H3,(H,14,16)
InChIKeyZTVMERXKWZTUHK-UHFFFAOYSA-N
MW246.78 g/mol
LogP1.71
Rot. Bonds4

About 2-chloro-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide

2-chloro-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide (PubChem CID 115162294) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is 2-chloro-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide
PubChem CID115162294
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name2-chloro-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide
SMILESCN1CCC(C(C)(C)CNC(=O)CCl)CC1
InChIInChI=1S/C12H23ClN2O/c1-12(2,9-14-11(16)8-13)10-4-6-15(3)7-5-10/h10H,4-9H2,1-3H3,(H,14,16)
InChIKeyZTVMERXKWZTUHK-UHFFFAOYSA-N
XLogP1.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide
CID 115173463
2-hydroxy-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]acetamide
CID 115140342
3-amino-3-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115155136
N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]acetamide
CID 115191509
2-(cyclopropylamino)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]acetamide
CID 115158616
2-chloro-N-[2-[1-(3,4-dihydro-1H-isochromene-3-carbonyl)piperidin-4-yl]-2-methylpropyl]acetamide
CID 167839021
4-amino-3,3-dimethyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115157486
4-amino-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]pentanamide
CID 115156862
N-[2-[1-[2-(1-benzofuran-3-yl)acetyl]piperidin-4-yl]-2-methylpropyl]-2-chloroacetamide
CID 167919805
2-methyl-2-(methylamino)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]propanamide
CID 115165880
1-cyano-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]formamide
CID 115172849
2-methyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanoic acid
CID 115219676

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide?
The IUPAC name of 2-chloro-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide (CID 115162294) is 2-chloro-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide is CN1CCC(C(C)(C)CNC(=O)CCl)CC1.
What is the InChIKey of 2-chloro-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide?
The InChIKey is ZTVMERXKWZTUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN2O/c1-12(2,9-14-11(16)8-13)10-4-6-15(3)7-5-10/h10H,4-9H2,1-3H3,(H,14,16).
What are the key properties of 2-chloro-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide?
2-chloro-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide has a molecular weight of 246.78 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide is sourced from PubChem (CID 115162294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).