N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-4-(4-methylphenoxy)butanamide

C25H32N2O5 — CID 108553423

IUPACN-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)NC2CCN(C(=O)C(C)Oc3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C25H32N2O5/c1-18-5-9-22(10-6-18)31-17-3-4-24(29)26-20-13-15-27(16-14-20)25(30)19(2)32-23-11-7-21(28)8-12-23/h5-12,19-20,28H,3-4,13-17H2,1-2H3,(H,26,29)
InChIKeyYKHORXBWFIOZAS-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.43
Rot. Bonds9

About N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-4-(4-methylphenoxy)butanamide

N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-4-(4-methylphenoxy)butanamide (PubChem CID 108553423) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-4-(4-methylphenoxy)butanamide
PubChem CID108553423
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC NameN-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)NC2CCN(C(=O)C(C)Oc3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C25H32N2O5/c1-18-5-9-22(10-6-18)31-17-3-4-24(29)26-20-13-15-27(16-14-20)25(30)19(2)32-23-11-7-21(28)8-12-23/h5-12,19-20,28H,3-4,13-17H2,1-2H3,(H,26,29)
InChIKeyYKHORXBWFIOZAS-UHFFFAOYSA-N
XLogP3.43
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108564305
1-[4-[2-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one
CID 108534659
methyl 4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxylate
CID 108561101
N-[1-(3-methylbutanoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 49493081
N,N-dimethyl-4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxamide
CID 108561105
2-(4-fluorophenyl)-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]acetamide
CID 108549664
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]butanamide
CID 108549552
3-methoxy-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108556193
(2S)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 94596120
2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide
CID 108558499
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-oxopentanamide
CID 108558057

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-4-(4-methylphenoxy)butanamide (CID 108553423) is N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-4-(4-methylphenoxy)butanamide is Cc1ccc(OCCCC(=O)NC2CCN(C(=O)C(C)Oc3ccc(O)cc3)CC2)cc1.
What is the InChIKey of N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-4-(4-methylphenoxy)butanamide?
The InChIKey is YKHORXBWFIOZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-18-5-9-22(10-6-18)31-17-3-4-24(29)26-20-13-15-27(16-14-20)25(30)19(2)32-23-11-7-21(28)8-12-23/h5-12,19-20,28H,3-4,13-17H2,1-2H3,(H,26,29).
What are the key properties of N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-4-(4-methylphenoxy)butanamide?
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-4-(4-methylphenoxy)butanamide has a molecular weight of 440.54 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-4-(4-methylphenoxy)butanamide is sourced from PubChem (CID 108553423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).