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

C15H18Cl2N2O2 — CID 108564176

IUPAC2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide
SMILESCC(Cl)C(=O)NC1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C15H18Cl2N2O2/c1-10(16)14(20)18-11-6-8-19(9-7-11)15(21)12-4-2-3-5-13(12)17/h2-5,10-11H,6-9H2,1H3,(H,18,20)
InChIKeyKZFLQNADVJGPTR-UHFFFAOYSA-N
MW329.23 g/mol
LogP2.69
Rot. Bonds3

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

2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide (PubChem CID 108564176) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide
PubChem CID108564176
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide
SMILESCC(Cl)C(=O)NC1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C15H18Cl2N2O2/c1-10(16)14(20)18-11-6-8-19(9-7-11)15(21)12-4-2-3-5-13(12)17/h2-5,10-11H,6-9H2,1H3,(H,18,20)
InChIKeyKZFLQNADVJGPTR-UHFFFAOYSA-N
XLogP2.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.69
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

2-chloro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanamide
CID 108564395
(2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380560
(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108567332
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
2-chloro-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]propanamide
CID 108566670
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552516
1-(2-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide
CID 1072799
2,5-dichloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108554581
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide
CID 108558507
1-(2-chlorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide
CID 1072829
2-chloro-N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
CID 108564353

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide (CID 108564176) is 2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide is CC(Cl)C(=O)NC1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide?
The InChIKey is KZFLQNADVJGPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-10(16)14(20)18-11-6-8-19(9-7-11)15(21)12-4-2-3-5-13(12)17/h2-5,10-11H,6-9H2,1H3,(H,18,20).
What are the key properties of 2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide?
2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide has a molecular weight of 329.23 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108564176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).