2-(4-hydroxypiperidin-1-yl)-N-[2-(3-phenylpropoxy)phenyl]acetamide

C22H28N2O3 — CID 50964338

IUPAC2-(4-hydroxypiperidin-1-yl)-N-[2-(3-phenylpropoxy)phenyl]acetamide
SMILESO=C(CN1CCC(O)CC1)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C22H28N2O3/c25-19-12-14-24(15-13-19)17-22(26)23-20-10-4-5-11-21(20)27-16-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11,19,25H,6,9,12-17H2,(H,23,26)
InChIKeyHELHXWCPLXFGOR-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.09
Rot. Bonds8

About 2-(4-hydroxypiperidin-1-yl)-N-[2-(3-phenylpropoxy)phenyl]acetamide

2-(4-hydroxypiperidin-1-yl)-N-[2-(3-phenylpropoxy)phenyl]acetamide (PubChem CID 50964338) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-N-[2-(3-phenylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-N-[2-(3-phenylpropoxy)phenyl]acetamide
PubChem CID50964338
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(4-hydroxypiperidin-1-yl)-N-[2-(3-phenylpropoxy)phenyl]acetamide
SMILESO=C(CN1CCC(O)CC1)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C22H28N2O3/c25-19-12-14-24(15-13-19)17-22(26)23-20-10-4-5-11-21(20)27-16-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11,19,25H,6,9,12-17H2,(H,23,26)
InChIKeyHELHXWCPLXFGOR-UHFFFAOYSA-N
XLogP3.09
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34942442
N-(2-benzylphenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 39902316
(3S,4S)-3,4-dihydroxy-N-[2-(3-phenylpropoxy)phenyl]piperidine-1-carboxamide
CID 118761290
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-N-(2-propoxyphenyl)acetamide
CID 18226789
2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54820711
2-(azepan-1-yl)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54814765
2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 168520539
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
2-[[2-(3-phenylpropoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 17131410
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
2-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]-N-phenylbenzamide
CID 31480918

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-[2-(3-phenylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-[2-(3-phenylpropoxy)phenyl]acetamide (CID 50964338) is 2-(4-hydroxypiperidin-1-yl)-N-[2-(3-phenylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-N-[2-(3-phenylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-N-[2-(3-phenylpropoxy)phenyl]acetamide is O=C(CN1CCC(O)CC1)Nc1ccccc1OCCCc1ccccc1.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-N-[2-(3-phenylpropoxy)phenyl]acetamide?
The InChIKey is HELHXWCPLXFGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c25-19-12-14-24(15-13-19)17-22(26)23-20-10-4-5-11-21(20)27-16-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11,19,25H,6,9,12-17H2,(H,23,26).
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-N-[2-(3-phenylpropoxy)phenyl]acetamide?
2-(4-hydroxypiperidin-1-yl)-N-[2-(3-phenylpropoxy)phenyl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-N-[2-(3-phenylpropoxy)phenyl]acetamide is sourced from PubChem (CID 50964338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).