2-chloro-N-(1-methylpiperidin-4-yl)acetamide

C8H15ClN2O — CID 43244059

IUPAC2-chloro-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(NC(=O)CCl)CC1
InChIInChI=1S/C8H15ClN2O/c1-11-4-2-7(3-5-11)10-8(12)6-9/h7H,2-6H2,1H3,(H,10,12)
InChIKeyDUZHOMGDQYIRID-UHFFFAOYSA-N
MW190.67 g/mol
LogP0.44
Rot. Bonds2

About 2-chloro-N-(1-methylpiperidin-4-yl)acetamide

2-chloro-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 43244059) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is 2-chloro-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID43244059
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC Name2-chloro-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(NC(=O)CCl)CC1
InChIInChI=1S/C8H15ClN2O/c1-11-4-2-7(3-5-11)10-8(12)6-9/h7H,2-6H2,1H3,(H,10,12)
InChIKeyDUZHOMGDQYIRID-UHFFFAOYSA-N
XLogP0.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-chloro-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-chloro-N-(1-methylpiperidin-4-yl)acetamide (CID 43244059) is 2-chloro-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-chloro-N-(1-methylpiperidin-4-yl)acetamide is CN1CCC(NC(=O)CCl)CC1.
What is the InChIKey of 2-chloro-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is DUZHOMGDQYIRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O/c1-11-4-2-7(3-5-11)10-8(12)6-9/h7H,2-6H2,1H3,(H,10,12).
What are the key properties of 2-chloro-N-(1-methylpiperidin-4-yl)acetamide?
2-chloro-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 190.67 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 43244059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).