1-(2-chloroacetyl)-3,3-dimethylpiperidine-2-carboxamide

C10H17ClN2O2 — CID 10728317

IUPAC1-(2-chloroacetyl)-3,3-dimethylpiperidine-2-carboxamide
SMILESCC1(C)CCCN(C(=O)CCl)C1C(N)=O
InChIInChI=1S/C10H17ClN2O2/c1-10(2)4-3-5-13(7(14)6-11)8(10)9(12)15/h8H,3-6H2,1-2H3,(H2,12,15)
InChIKeyUYHSUJADVRBJJD-UHFFFAOYSA-N
MW232.71 g/mol
LogP0.73
Rot. Bonds2

About 1-(2-chloroacetyl)-3,3-dimethylpiperidine-2-carboxamide

1-(2-chloroacetyl)-3,3-dimethylpiperidine-2-carboxamide (PubChem CID 10728317) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 1-(2-chloroacetyl)-3,3-dimethylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-chloroacetyl)-3,3-dimethylpiperidine-2-carboxamide
PubChem CID10728317
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC Name1-(2-chloroacetyl)-3,3-dimethylpiperidine-2-carboxamide
SMILESCC1(C)CCCN(C(=O)CCl)C1C(N)=O
InChIInChI=1S/C10H17ClN2O2/c1-10(2)4-3-5-13(7(14)6-11)8(10)9(12)15/h8H,3-6H2,1-2H3,(H2,12,15)
InChIKeyUYHSUJADVRBJJD-UHFFFAOYSA-N
XLogP0.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-chloroacetyl)-3,3-dimethylpiperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperidine-2-carboxamide
CID 166304545
1-(5-aminopentanoyl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 114085633
1-[(3-amino-3-oxopropyl)carbamoyl]-3,3-dimethylpiperidine-2-carboxylic acid
CID 114085230
1-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 114085623
2-chloro-1-(2-methylazepan-1-yl)ethanone
CID 21490096
[1-(2-chloroacetyl)-4-methylazepan-4-yl]methyl carbamate
CID 175316865
1-(2-chloroacetyl)-4-methylpiperidine-2-carboxamide
CID 154856779
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
2-chloro-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634371
2-chloro-1-(2-methylaziridin-1-yl)ethanone
CID 21490095
(1S)-2,2-dimethylcyclohexane-1-carboxamide
CID 90019535
1-(3-ethoxy-3-oxopropyl)sulfonyl-3,3-dimethylpiperidine-2-carboxylic acid
CID 106831643

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroacetyl)-3,3-dimethylpiperidine-2-carboxamide?
The IUPAC name of 1-(2-chloroacetyl)-3,3-dimethylpiperidine-2-carboxamide (CID 10728317) is 1-(2-chloroacetyl)-3,3-dimethylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(2-chloroacetyl)-3,3-dimethylpiperidine-2-carboxamide?
The canonical SMILES for 1-(2-chloroacetyl)-3,3-dimethylpiperidine-2-carboxamide is CC1(C)CCCN(C(=O)CCl)C1C(N)=O.
What is the InChIKey of 1-(2-chloroacetyl)-3,3-dimethylpiperidine-2-carboxamide?
The InChIKey is UYHSUJADVRBJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2/c1-10(2)4-3-5-13(7(14)6-11)8(10)9(12)15/h8H,3-6H2,1-2H3,(H2,12,15).
What are the key properties of 1-(2-chloroacetyl)-3,3-dimethylpiperidine-2-carboxamide?
1-(2-chloroacetyl)-3,3-dimethylpiperidine-2-carboxamide has a molecular weight of 232.71 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroacetyl)-3,3-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 10728317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).