2-hydroxy-N-[1-[2-hydroxy-3-[4-(3-phenylpropoxy)phenoxy]propyl]piperidin-4-yl]acetamide

C25H34N2O5 — CID 58723293

IUPAC2-hydroxy-N-[1-[2-hydroxy-3-[4-(3-phenylpropoxy)phenoxy]propyl]piperidin-4-yl]acetamide
SMILESO=C(CO)NC1CCN(CC(O)COc2ccc(OCCCc3ccccc3)cc2)CC1
InChIInChI=1S/C25H34N2O5/c28-18-25(30)26-21-12-14-27(15-13-21)17-22(29)19-32-24-10-8-23(9-11-24)31-16-4-7-20-5-2-1-3-6-20/h1-3,5-6,8-11,21-22,28-29H,4,7,12-19H2,(H,26,30)
InChIKeyCGVWZVBAQYAFIG-UHFFFAOYSA-N
MW442.56 g/mol
LogP2.01
Rot. Bonds12

About 2-hydroxy-N-[1-[2-hydroxy-3-[4-(3-phenylpropoxy)phenoxy]propyl]piperidin-4-yl]acetamide

2-hydroxy-N-[1-[2-hydroxy-3-[4-(3-phenylpropoxy)phenoxy]propyl]piperidin-4-yl]acetamide (PubChem CID 58723293) has the molecular formula C25H34N2O5 and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-hydroxy-N-[1-[2-hydroxy-3-[4-(3-phenylpropoxy)phenoxy]propyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-[2-hydroxy-3-[4-(3-phenylpropoxy)phenoxy]propyl]piperidin-4-yl]acetamide
PubChem CID58723293
Molecular FormulaC25H34N2O5
Molecular Weight442.56 g/mol
Exact Mass442.25
IUPAC Name2-hydroxy-N-[1-[2-hydroxy-3-[4-(3-phenylpropoxy)phenoxy]propyl]piperidin-4-yl]acetamide
SMILESO=C(CO)NC1CCN(CC(O)COc2ccc(OCCCc3ccccc3)cc2)CC1
InChIInChI=1S/C25H34N2O5/c28-18-25(30)26-21-12-14-27(15-13-21)17-22(29)19-32-24-10-8-23(9-11-24)31-16-4-7-20-5-2-1-3-6-20/h1-3,5-6,8-11,21-22,28-29H,4,7,12-19H2,(H,26,30)
InChIKeyCGVWZVBAQYAFIG-UHFFFAOYSA-N
XLogP2.01
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-4-yl]-3-phenylurea
CID 86831832
N-cyclopropyl-2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-oxoacetamide
CID 47039869
N-cyclopropyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]propanamide
CID 43039511
methyl 4-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]benzoate chloride
CID 46863809
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111113995
1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one
CID 11417286
1-(4-nitrophenoxy)-3-[4-(3-phenylpropyl)piperazin-1-yl]propan-2-ol
CID 3856079
1-[4-[2-hydroxy-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-phenoxyethyl)piperazin-1-yl]propan-2-ol
CID 4234342
1-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperidine-4-carboxamide
CID 2520625
N-benzyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]acetamide
CID 24596406
N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-4-butoxybenzamide
CID 24818401
(2R)-2-hydroxy-2-[1-[(2R)-2-hydroxy-3-phenoxypropyl]piperidin-4-yl]acetamide
CID 129490089

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-[2-hydroxy-3-[4-(3-phenylpropoxy)phenoxy]propyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-hydroxy-N-[1-[2-hydroxy-3-[4-(3-phenylpropoxy)phenoxy]propyl]piperidin-4-yl]acetamide (CID 58723293) is 2-hydroxy-N-[1-[2-hydroxy-3-[4-(3-phenylpropoxy)phenoxy]propyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[1-[2-hydroxy-3-[4-(3-phenylpropoxy)phenoxy]propyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-hydroxy-N-[1-[2-hydroxy-3-[4-(3-phenylpropoxy)phenoxy]propyl]piperidin-4-yl]acetamide is O=C(CO)NC1CCN(CC(O)COc2ccc(OCCCc3ccccc3)cc2)CC1.
What is the InChIKey of 2-hydroxy-N-[1-[2-hydroxy-3-[4-(3-phenylpropoxy)phenoxy]propyl]piperidin-4-yl]acetamide?
The InChIKey is CGVWZVBAQYAFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O5/c28-18-25(30)26-21-12-14-27(15-13-21)17-22(29)19-32-24-10-8-23(9-11-24)31-16-4-7-20-5-2-1-3-6-20/h1-3,5-6,8-11,21-22,28-29H,4,7,12-19H2,(H,26,30).
What are the key properties of 2-hydroxy-N-[1-[2-hydroxy-3-[4-(3-phenylpropoxy)phenoxy]propyl]piperidin-4-yl]acetamide?
2-hydroxy-N-[1-[2-hydroxy-3-[4-(3-phenylpropoxy)phenoxy]propyl]piperidin-4-yl]acetamide has a molecular weight of 442.56 g/mol, XLogP of 2.01, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-[2-hydroxy-3-[4-(3-phenylpropoxy)phenoxy]propyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 58723293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).