N-[1-(2,2-dichloroacetyl)piperidin-4-yl]cyclopropanecarboxamide

C11H16Cl2N2O2 — CID 108561745

IUPACN-[1-(2,2-dichloroacetyl)piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C(=O)C(Cl)Cl)CC1)C1CC1
InChIInChI=1S/C11H16Cl2N2O2/c12-9(13)11(17)15-5-3-8(4-6-15)14-10(16)7-1-2-7/h7-9H,1-6H2,(H,14,16)
InChIKeyIMSBCISHNZNRGS-UHFFFAOYSA-N
MW279.17 g/mol
LogP1.31
Rot. Bonds3

About N-[1-(2,2-dichloroacetyl)piperidin-4-yl]cyclopropanecarboxamide

N-[1-(2,2-dichloroacetyl)piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 108561745) has the molecular formula C11H16Cl2N2O2 and a molecular weight of 279.17 g/mol. Its IUPAC name is N-[1-(2,2-dichloroacetyl)piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(2,2-dichloroacetyl)piperidin-4-yl]cyclopropanecarboxamide
PubChem CID108561745
Molecular FormulaC11H16Cl2N2O2
Molecular Weight279.17 g/mol
Exact Mass278.06
IUPAC NameN-[1-(2,2-dichloroacetyl)piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C(=O)C(Cl)Cl)CC1)C1CC1
InChIInChI=1S/C11H16Cl2N2O2/c12-9(13)11(17)15-5-3-8(4-6-15)14-10(16)7-1-2-7/h7-9H,1-6H2,(H,14,16)
InChIKeyIMSBCISHNZNRGS-UHFFFAOYSA-N
XLogP1.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 51.31
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

N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 65227239
4-(cyclopropanecarbonylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 108561749
N-[1-(5-amino-2-methylpentanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 104684454
N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 60550291
N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide
CID 25236585
methyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate
CID 71998519
3-cyclohexyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]propanamide
CID 108561964
4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide
CID 108561404
N-[1-[2-(tert-butylamino)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 112730369
N-(1-butanoylpiperidin-4-yl)cyclopropanecarboxamide
CID 60758370
4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid
CID 54875546
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 43711892

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dichloroacetyl)piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(2,2-dichloroacetyl)piperidin-4-yl]cyclopropanecarboxamide (CID 108561745) is N-[1-(2,2-dichloroacetyl)piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(2,2-dichloroacetyl)piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(2,2-dichloroacetyl)piperidin-4-yl]cyclopropanecarboxamide is O=C(NC1CCN(C(=O)C(Cl)Cl)CC1)C1CC1.
What is the InChIKey of N-[1-(2,2-dichloroacetyl)piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is IMSBCISHNZNRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2/c12-9(13)11(17)15-5-3-8(4-6-15)14-10(16)7-1-2-7/h7-9H,1-6H2,(H,14,16).
What are the key properties of N-[1-(2,2-dichloroacetyl)piperidin-4-yl]cyclopropanecarboxamide?
N-[1-(2,2-dichloroacetyl)piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 279.17 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dichloroacetyl)piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 108561745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).