3-cyclohexyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]propanamide

C16H26Cl2N2O2 — CID 108561964

IUPAC3-cyclohexyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCCCC1)NC1CCN(C(=O)C(Cl)Cl)CC1
InChIInChI=1S/C16H26Cl2N2O2/c17-15(18)16(22)20-10-8-13(9-11-20)19-14(21)7-6-12-4-2-1-3-5-12/h12-13,15H,1-11H2,(H,19,21)
InChIKeyHCBGJHHDUIDTBH-UHFFFAOYSA-N
MW349.30 g/mol
LogP3.26
Rot. Bonds5

About 3-cyclohexyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]propanamide

3-cyclohexyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]propanamide (PubChem CID 108561964) has the molecular formula C16H26Cl2N2O2 and a molecular weight of 349.30 g/mol. Its IUPAC name is 3-cyclohexyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]propanamide
PubChem CID108561964
Molecular FormulaC16H26Cl2N2O2
Molecular Weight349.30 g/mol
Exact Mass348.14
IUPAC Name3-cyclohexyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCCCC1)NC1CCN(C(=O)C(Cl)Cl)CC1
InChIInChI=1S/C16H26Cl2N2O2/c17-15(18)16(22)20-10-8-13(9-11-20)19-14(21)7-6-12-4-2-1-3-5-12/h12-13,15H,1-11H2,(H,19,21)
InChIKeyHCBGJHHDUIDTBH-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.30
LogP ≤ 53.26
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

3-cyclohexyl-N-(1-propanoylpiperidin-4-yl)propanamide
CID 108555732
4-(3-cyclohexylpropanoylamino)-N,N-diethylpiperidine-1-carboxamide
CID 108561969
2-chloro-N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]propanamide
CID 108566205
3-cyclohexyl-N-[4-(methylamino)cyclohexyl]propanamide
CID 43653177
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-3-methoxypropanamide
CID 108556221
3-cyclohexyl-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]propanamide
CID 108555654
4-(3-cyclopentylpropanoylamino)-N-phenylpiperidine-1-carboxamide
CID 46700387
3-cyclohexyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide
CID 108555735
3-cyclohexyl-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108555663
N-[1-(2,2-dichloroacetyl)piperidin-4-yl]cyclopropanecarboxamide
CID 108561745
N-(4-aminocyclohexyl)-3-cyclopentylpropanamide;hydrochloride
CID 119260252
3-cyclohexyl-N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]propanamide
CID 108555684

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]propanamide (CID 108561964) is 3-cyclohexyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]propanamide is O=C(CCC1CCCCC1)NC1CCN(C(=O)C(Cl)Cl)CC1.
What is the InChIKey of 3-cyclohexyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]propanamide?
The InChIKey is HCBGJHHDUIDTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26Cl2N2O2/c17-15(18)16(22)20-10-8-13(9-11-20)19-14(21)7-6-12-4-2-1-3-5-12/h12-13,15H,1-11H2,(H,19,21).
What are the key properties of 3-cyclohexyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]propanamide?
3-cyclohexyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]propanamide has a molecular weight of 349.30 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108561964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).