2-chloro-N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]propanamide

C17H29ClN2O2 — CID 108566205

IUPAC2-chloro-N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]propanamide
SMILESCC(Cl)C(=O)NC1CCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C17H29ClN2O2/c1-13(18)17(22)19-15-9-11-20(12-10-15)16(21)8-7-14-5-3-2-4-6-14/h13-15H,2-12H2,1H3,(H,19,22)
InChIKeyBEGVMCXNAOKGRH-UHFFFAOYSA-N
MW328.88 g/mol
LogP3.08
Rot. Bonds5

About 2-chloro-N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]propanamide

2-chloro-N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]propanamide (PubChem CID 108566205) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]propanamide
PubChem CID108566205
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC Name2-chloro-N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]propanamide
SMILESCC(Cl)C(=O)NC1CCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C17H29ClN2O2/c1-13(18)17(22)19-15-9-11-20(12-10-15)16(21)8-7-14-5-3-2-4-6-14/h13-15H,2-12H2,1H3,(H,19,22)
InChIKeyBEGVMCXNAOKGRH-UHFFFAOYSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 53.08
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

methyl N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]carbamate
CID 108566198
2-chloro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide
CID 108566430
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-3-methoxypropanamide
CID 108556221
3-cyclohexyl-N-(1-propanoylpiperidin-4-yl)propanamide
CID 108555732
3-cyclohexyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]propanamide
CID 108561964
3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 81424634
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108552919
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride
CID 119519992
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 63596026
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554734
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 119260463
1-[4-(2-chloroacetyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 108569580

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-chloro-N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]propanamide (CID 108566205) is 2-chloro-N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-chloro-N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-chloro-N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]propanamide is CC(Cl)C(=O)NC1CCN(C(=O)CCC2CCCCC2)CC1.
What is the InChIKey of 2-chloro-N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]propanamide?
The InChIKey is BEGVMCXNAOKGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN2O2/c1-13(18)17(22)19-15-9-11-20(12-10-15)16(21)8-7-14-5-3-2-4-6-14/h13-15H,2-12H2,1H3,(H,19,22).
What are the key properties of 2-chloro-N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]propanamide?
2-chloro-N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]propanamide has a molecular weight of 328.88 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108566205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).