N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-chlorophenoxy)propanamide

C21H22Cl2N2O3 — CID 108553149

IUPACN-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-chlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NC1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H22Cl2N2O3/c1-14(28-19-7-5-16(22)6-8-19)20(26)24-18-9-11-25(12-10-18)21(27)15-3-2-4-17(23)13-15/h2-8,13-14,18H,9-12H2,1H3,(H,24,26)
InChIKeyQXGUQBPLWMBZPC-UHFFFAOYSA-N
MW421.32 g/mol
LogP4.18
Rot. Bonds5

About N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-chlorophenoxy)propanamide

N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-chlorophenoxy)propanamide (PubChem CID 108553149) has the molecular formula C21H22Cl2N2O3 and a molecular weight of 421.32 g/mol. Its IUPAC name is N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-chlorophenoxy)propanamide
PubChem CID108553149
Molecular FormulaC21H22Cl2N2O3
Molecular Weight421.32 g/mol
Exact Mass420.10
IUPAC NameN-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-chlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NC1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H22Cl2N2O3/c1-14(28-19-7-5-16(22)6-8-19)20(26)24-18-9-11-25(12-10-18)21(27)15-3-2-4-17(23)13-15/h2-8,13-14,18H,9-12H2,1H3,(H,24,26)
InChIKeyQXGUQBPLWMBZPC-UHFFFAOYSA-N
XLogP4.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.32
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551143
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108552899
2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
CID 112804073
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108553309
2-(4-chlorophenoxy)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 55703255
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551181
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551131
2-(4-chlorophenoxy)-N-[1-(2-methoxybenzoyl)piperidin-4-yl]propanamide
CID 108553138
(2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 42561318
2-(4-hydroxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]propanamide
CID 108551157
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
(2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 42562531

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-chlorophenoxy)propanamide?
The IUPAC name of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-chlorophenoxy)propanamide (CID 108553149) is N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-chlorophenoxy)propanamide.
What is the SMILES notation for N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-chlorophenoxy)propanamide?
The canonical SMILES for N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-chlorophenoxy)propanamide is CC(Oc1ccc(Cl)cc1)C(=O)NC1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-chlorophenoxy)propanamide?
The InChIKey is QXGUQBPLWMBZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O3/c1-14(28-19-7-5-16(22)6-8-19)20(26)24-18-9-11-25(12-10-18)21(27)15-3-2-4-17(23)13-15/h2-8,13-14,18H,9-12H2,1H3,(H,24,26).
What are the key properties of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-chlorophenoxy)propanamide?
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-chlorophenoxy)propanamide has a molecular weight of 421.32 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-chlorophenoxy)propanamide is sourced from PubChem (CID 108553149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).