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

C17H23ClN2O4 — CID 108564305

IUPAC3-chloro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]propanamide
SMILESCC(Oc1ccc(O)cc1)C(=O)N1CCC(NC(=O)CCCl)CC1
InChIInChI=1S/C17H23ClN2O4/c1-12(24-15-4-2-14(21)3-5-15)17(23)20-10-7-13(8-11-20)19-16(22)6-9-18/h2-5,12-13,21H,6-11H2,1H3,(H,19,22)
InChIKeySGBJZFUUDINPJA-UHFFFAOYSA-N
MW354.83 g/mol
LogP1.90
Rot. Bonds6

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

3-chloro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]propanamide (PubChem CID 108564305) has the molecular formula C17H23ClN2O4 and a molecular weight of 354.83 g/mol. Its IUPAC name is 3-chloro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]propanamide
PubChem CID108564305
Molecular FormulaC17H23ClN2O4
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC Name3-chloro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]propanamide
SMILESCC(Oc1ccc(O)cc1)C(=O)N1CCC(NC(=O)CCCl)CC1
InChIInChI=1S/C17H23ClN2O4/c1-12(24-15-4-2-14(21)3-5-15)17(23)20-10-7-13(8-11-20)19-16(22)6-9-18/h2-5,12-13,21H,6-11H2,1H3,(H,19,22)
InChIKeySGBJZFUUDINPJA-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

N-[1-(3-chloropropanoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108560062
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 108553423
2-(4-fluorophenyl)-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]acetamide
CID 108549664
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-oxopentanamide
CID 108558057
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554683
3-methoxy-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108556193
3-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide
CID 108549550
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557567
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]furan-2-carboxamide
CID 108550032
3,3-dimethyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide
CID 108565276
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558175
3-fluoro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108557466

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]propanamide?
The IUPAC name of 3-chloro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]propanamide (CID 108564305) is 3-chloro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3-chloro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]propanamide?
The canonical SMILES for 3-chloro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]propanamide is CC(Oc1ccc(O)cc1)C(=O)N1CCC(NC(=O)CCCl)CC1.
What is the InChIKey of 3-chloro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]propanamide?
The InChIKey is SGBJZFUUDINPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4/c1-12(24-15-4-2-14(21)3-5-15)17(23)20-10-7-13(8-11-20)19-16(22)6-9-18/h2-5,12-13,21H,6-11H2,1H3,(H,19,22).
What are the key properties of 3-chloro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]propanamide?
3-chloro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]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 3-chloro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 108564305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).