N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide

C21H22Cl2N2O4 — CID 108551131

IUPACN-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
SMILESCC(Oc1ccc(O)cc1)C(=O)NC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C21H22Cl2N2O4/c1-13(29-17-5-3-16(26)4-6-17)20(27)24-15-8-10-25(11-9-15)21(28)14-2-7-18(22)19(23)12-14/h2-7,12-13,15,26H,8-11H2,1H3,(H,24,27)
InChIKeyKBEFDLQFGYDIHX-UHFFFAOYSA-N
MW437.32 g/mol
LogP3.89
Rot. Bonds5

About N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide

N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide (PubChem CID 108551131) has the molecular formula C21H22Cl2N2O4 and a molecular weight of 437.32 g/mol. Its IUPAC name is N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
PubChem CID108551131
Molecular FormulaC21H22Cl2N2O4
Molecular Weight437.32 g/mol
Exact Mass436.10
IUPAC NameN-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
SMILESCC(Oc1ccc(O)cc1)C(=O)NC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C21H22Cl2N2O4/c1-13(29-17-5-3-16(26)4-6-17)20(27)24-15-8-10-25(11-9-15)21(28)14-2-7-18(22)19(23)12-14/h2-7,12-13,15,26H,8-11H2,1H3,(H,24,27)
InChIKeyKBEFDLQFGYDIHX-UHFFFAOYSA-N
XLogP3.89
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.32
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551143
2-(4-hydroxyphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]propanamide
CID 108560077
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551181
2-(4-hydroxyphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 108551204
2-(4-hydroxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]propanamide
CID 108551157
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-chlorophenoxy)propanamide
CID 108553149
2-(4-hydroxyphenoxy)-N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]propanamide
CID 108560056
N-[1-(3-chloropropanoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108560062
(2R)-N-cyclopentyl-2-(3,4-dichlorophenoxy)propanamide
CID 2706554
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108553309
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558128
2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
CID 112804073

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide?
The IUPAC name of N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide (CID 108551131) is N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide.
What is the SMILES notation for N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide?
The canonical SMILES for N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide is CC(Oc1ccc(O)cc1)C(=O)NC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide?
The InChIKey is KBEFDLQFGYDIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O4/c1-13(29-17-5-3-16(26)4-6-17)20(27)24-15-8-10-25(11-9-15)21(28)14-2-7-18(22)19(23)12-14/h2-7,12-13,15,26H,8-11H2,1H3,(H,24,27).
What are the key properties of N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide?
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide has a molecular weight of 437.32 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide is sourced from PubChem (CID 108551131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).