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

C17H23ClN2O4 — CID 108560062

IUPACN-[1-(3-chloropropanoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
SMILESCC(Oc1ccc(O)cc1)C(=O)NC1CCN(C(=O)CCCl)CC1
InChIInChI=1S/C17H23ClN2O4/c1-12(24-15-4-2-14(21)3-5-15)17(23)19-13-7-10-20(11-8-13)16(22)6-9-18/h2-5,12-13,21H,6-11H2,1H3,(H,19,23)
InChIKeyFJFKPWNPEIGALS-UHFFFAOYSA-N
MW354.83 g/mol
LogP1.90
Rot. Bonds6

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

N-[1-(3-chloropropanoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide (PubChem CID 108560062) has the molecular formula C17H23ClN2O4 and a molecular weight of 354.83 g/mol. Its IUPAC name is N-[1-(3-chloropropanoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(3-chloropropanoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
PubChem CID108560062
Molecular FormulaC17H23ClN2O4
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC NameN-[1-(3-chloropropanoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
SMILESCC(Oc1ccc(O)cc1)C(=O)NC1CCN(C(=O)CCCl)CC1
InChIInChI=1S/C17H23ClN2O4/c1-12(24-15-4-2-14(21)3-5-15)17(23)19-13-7-10-20(11-8-13)16(22)6-9-18/h2-5,12-13,21H,6-11H2,1H3,(H,19,23)
InChIKeyFJFKPWNPEIGALS-UHFFFAOYSA-N
XLogP1.90
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108564305
2-(4-chlorophenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide
CID 108553182
N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551143
2-(4-hydroxyphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 108551204
2-(4-hydroxyphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]propanamide
CID 108560077
2-(4-hydroxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]propanamide
CID 108551157
2-(4-hydroxyphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 108560076
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
tert-butyl N-[3-[4-[2-(4-chlorophenoxy)propanoylamino]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108919633
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108553340
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-(3-chloropropanoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide?
The IUPAC name of N-[1-(3-chloropropanoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide (CID 108560062) is N-[1-(3-chloropropanoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide.
What is the SMILES notation for N-[1-(3-chloropropanoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide?
The canonical SMILES for N-[1-(3-chloropropanoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide is CC(Oc1ccc(O)cc1)C(=O)NC1CCN(C(=O)CCCl)CC1.
What is the InChIKey of N-[1-(3-chloropropanoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide?
The InChIKey is FJFKPWNPEIGALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4/c1-12(24-15-4-2-14(21)3-5-15)17(23)19-13-7-10-20(11-8-13)16(22)6-9-18/h2-5,12-13,21H,6-11H2,1H3,(H,19,23).
What are the key properties of N-[1-(3-chloropropanoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide?
N-[1-(3-chloropropanoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide has a molecular weight of 354.83 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloropropanoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide is sourced from PubChem (CID 108560062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).