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

C21H28Cl2N2O2 — CID 108555654

IUPAC3-cyclohexyl-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCCCC1)NC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C21H28Cl2N2O2/c22-18-8-7-16(14-19(18)23)21(27)25-12-10-17(11-13-25)24-20(26)9-6-15-4-2-1-3-5-15/h7-8,14-15,17H,1-6,9-13H2,(H,24,26)
InChIKeyYZSQMBHWMAKZOE-UHFFFAOYSA-N
MW411.37 g/mol
LogP5.07
Rot. Bonds5

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

3-cyclohexyl-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]propanamide (PubChem CID 108555654) has the molecular formula C21H28Cl2N2O2 and a molecular weight of 411.37 g/mol. Its IUPAC name is 3-cyclohexyl-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]propanamide
PubChem CID108555654
Molecular FormulaC21H28Cl2N2O2
Molecular Weight411.37 g/mol
Exact Mass410.15
IUPAC Name3-cyclohexyl-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCCCC1)NC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C21H28Cl2N2O2/c22-18-8-7-16(14-19(18)23)21(27)25-12-10-17(11-13-25)24-20(26)9-6-15-4-2-1-3-5-15/h7-8,14-15,17H,1-6,9-13H2,(H,24,26)
InChIKeyYZSQMBHWMAKZOE-UHFFFAOYSA-N
XLogP5.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.37
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551233
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549642
2-(4-chlorophenoxy)-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]acetamide
CID 108554297
(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559758
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dichlorophenyl)methanone;hydrochloride
CID 119621638
3-cyclohexyl-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108555663
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558128
3-cyclohexyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]propanamide
CID 108561964
2-cyclopentyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]acetamide
CID 108935675
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 108563505
3-cyclohexyl-N-(1-propanoylpiperidin-4-yl)propanamide
CID 108555732
4-(3-cyclopentylpropanoylamino)-N-phenylpiperidine-1-carboxamide
CID 46700387

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]propanamide (CID 108555654) is 3-cyclohexyl-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]propanamide is O=C(CCC1CCCCC1)NC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 3-cyclohexyl-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]propanamide?
The InChIKey is YZSQMBHWMAKZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28Cl2N2O2/c22-18-8-7-16(14-19(18)23)21(27)25-12-10-17(11-13-25)24-20(26)9-6-15-4-2-1-3-5-15/h7-8,14-15,17H,1-6,9-13H2,(H,24,26).
What are the key properties of 3-cyclohexyl-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]propanamide?
3-cyclohexyl-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]propanamide has a molecular weight of 411.37 g/mol, XLogP of 5.07, 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-(3,4-dichlorobenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108555654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).