1-(2-chloroacetyl)-4-methylpiperidine-2-carboxamide

C9H15ClN2O2 — CID 154856779

IUPAC1-(2-chloroacetyl)-4-methylpiperidine-2-carboxamide
SMILESCC1CCN(C(=O)CCl)C(C(N)=O)C1
InChIInChI=1S/C9H15ClN2O2/c1-6-2-3-12(8(13)5-10)7(4-6)9(11)14/h6-7H,2-5H2,1H3,(H2,11,14)
InChIKeyVHZDIQVRWGIHJS-UHFFFAOYSA-N
MW218.68 g/mol
LogP0.34
Rot. Bonds2

About 1-(2-chloroacetyl)-4-methylpiperidine-2-carboxamide

1-(2-chloroacetyl)-4-methylpiperidine-2-carboxamide (PubChem CID 154856779) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is 1-(2-chloroacetyl)-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-chloroacetyl)-4-methylpiperidine-2-carboxamide
PubChem CID154856779
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC Name1-(2-chloroacetyl)-4-methylpiperidine-2-carboxamide
SMILESCC1CCN(C(=O)CCl)C(C(N)=O)C1
InChIInChI=1S/C9H15ClN2O2/c1-6-2-3-12(8(13)5-10)7(4-6)9(11)14/h6-7H,2-5H2,1H3,(H2,11,14)
InChIKeyVHZDIQVRWGIHJS-UHFFFAOYSA-N
XLogP0.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 50.34
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 1-(2-chloroacetyl)-4-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(2-chloroacetyl)-4-methylpiperidine-2-carboxamide (CID 154856779) is 1-(2-chloroacetyl)-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(2-chloroacetyl)-4-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(2-chloroacetyl)-4-methylpiperidine-2-carboxamide is CC1CCN(C(=O)CCl)C(C(N)=O)C1.
What is the InChIKey of 1-(2-chloroacetyl)-4-methylpiperidine-2-carboxamide?
The InChIKey is VHZDIQVRWGIHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O2/c1-6-2-3-12(8(13)5-10)7(4-6)9(11)14/h6-7H,2-5H2,1H3,(H2,11,14).
What are the key properties of 1-(2-chloroacetyl)-4-methylpiperidine-2-carboxamide?
1-(2-chloroacetyl)-4-methylpiperidine-2-carboxamide has a molecular weight of 218.68 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroacetyl)-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 154856779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).