2,2-dichloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide

C14H22Cl2N2O2 — CID 108563873

IUPAC2,2-dichloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
SMILESO=C(NC1CCN(C(=O)C2CCCCC2)CC1)C(Cl)Cl
InChIInChI=1S/C14H22Cl2N2O2/c15-12(16)13(19)17-11-6-8-18(9-7-11)14(20)10-4-2-1-3-5-10/h10-12H,1-9H2,(H,17,19)
InChIKeyIHEWXAKPSFKCRT-UHFFFAOYSA-N
MW321.25 g/mol
LogP2.48
Rot. Bonds3

About 2,2-dichloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide

2,2-dichloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide (PubChem CID 108563873) has the molecular formula C14H22Cl2N2O2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 2,2-dichloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
PubChem CID108563873
Molecular FormulaC14H22Cl2N2O2
Molecular Weight321.25 g/mol
Exact Mass320.11
IUPAC Name2,2-dichloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
SMILESO=C(NC1CCN(C(=O)C2CCCCC2)CC1)C(Cl)Cl
InChIInChI=1S/C14H22Cl2N2O2/c15-12(16)13(19)17-11-6-8-18(9-7-11)14(20)10-4-2-1-3-5-10/h10-12H,1-9H2,(H,17,19)
InChIKeyIHEWXAKPSFKCRT-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 52.48
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

1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-cyclopentylurea
CID 110820027
2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
CID 50988896
1-(cyclohexanecarbonyl)-N-cyclopentylpiperidine-4-carboxamide
CID 113002958
cyclopentyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60820118
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]acetamide
CID 49348874
N-cyclohexyl-4-(cyclopentanecarbonyl)piperazine-1-carboxamide
CID 110364760
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
1-tert-butyl-3-[1-(cyclohexanecarbonyl)piperidin-4-yl]urea
CID 110819716
2,2-dichloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide
CID 108564919

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2,2-dichloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide (CID 108563873) is 2,2-dichloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide is O=C(NC1CCN(C(=O)C2CCCCC2)CC1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide?
The InChIKey is IHEWXAKPSFKCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N2O2/c15-12(16)13(19)17-11-6-8-18(9-7-11)14(20)10-4-2-1-3-5-10/h10-12H,1-9H2,(H,17,19).
What are the key properties of 2,2-dichloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide?
2,2-dichloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide has a molecular weight of 321.25 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108563873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).