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

C21H23ClN2O4 — CID 108551143

IUPACN-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
SMILESCC(Oc1ccc(O)cc1)C(=O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H23ClN2O4/c1-14(28-19-8-6-18(25)7-9-19)20(26)23-17-10-12-24(13-11-17)21(27)15-2-4-16(22)5-3-15/h2-9,14,17,25H,10-13H2,1H3,(H,23,26)
InChIKeyAORHOZNMKWNOHP-UHFFFAOYSA-N
MW402.88 g/mol
LogP3.23
Rot. Bonds5

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

N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide (PubChem CID 108551143) has the molecular formula C21H23ClN2O4 and a molecular weight of 402.88 g/mol. Its IUPAC name is N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
PubChem CID108551143
Molecular FormulaC21H23ClN2O4
Molecular Weight402.88 g/mol
Exact Mass402.13
IUPAC NameN-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
SMILESCC(Oc1ccc(O)cc1)C(=O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H23ClN2O4/c1-14(28-19-8-6-18(25)7-9-19)20(26)23-17-10-12-24(13-11-17)21(27)15-2-4-16(22)5-3-15/h2-9,14,17,25H,10-13H2,1H3,(H,23,26)
InChIKeyAORHOZNMKWNOHP-UHFFFAOYSA-N
XLogP3.23
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxyphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]propanamide
CID 108560077
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551131
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-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551181
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-chlorophenoxy)propanamide
CID 108553149
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534102
2-(4-chlorophenoxy)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 55703255
N-[1-(3-chloropropanoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108560062
2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
CID 112804073
2-(4-chlorophenoxy)-N-[1-(2-methoxybenzoyl)piperidin-4-yl]propanamide
CID 108553138
2-(4-hydroxyphenoxy)-N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]propanamide
CID 108560056

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide?
The IUPAC name of N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide (CID 108551143) is N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide.
What is the SMILES notation for N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide?
The canonical SMILES for N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide is CC(Oc1ccc(O)cc1)C(=O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide?
The InChIKey is AORHOZNMKWNOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4/c1-14(28-19-8-6-18(25)7-9-19)20(26)23-17-10-12-24(13-11-17)21(27)15-2-4-16(22)5-3-15/h2-9,14,17,25H,10-13H2,1H3,(H,23,26).
What are the key properties of N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide?
N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide has a molecular weight of 402.88 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide is sourced from PubChem (CID 108551143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).