N-benzyl-1-[2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidine-4-carboxamide

C25H32N2O4 — CID 24534494

IUPACN-benzyl-1-[2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidine-4-carboxamide
SMILESCCC(=O)c1ccc(OCC(O)CN2CCC(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C25H32N2O4/c1-2-24(29)20-8-10-23(11-9-20)31-18-22(28)17-27-14-12-21(13-15-27)25(30)26-16-19-6-4-3-5-7-19/h3-11,21-22,28H,2,12-18H2,1H3,(H,26,30)
InChIKeyBTEGXLJSVFJXIS-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.05
Rot. Bonds10

About N-benzyl-1-[2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidine-4-carboxamide

N-benzyl-1-[2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidine-4-carboxamide (PubChem CID 24534494) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-benzyl-1-[2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidine-4-carboxamide
PubChem CID24534494
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC NameN-benzyl-1-[2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidine-4-carboxamide
SMILESCCC(=O)c1ccc(OCC(O)CN2CCC(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C25H32N2O4/c1-2-24(29)20-8-10-23(11-9-20)31-18-22(28)17-27-14-12-21(13-15-27)25(30)26-16-19-6-4-3-5-7-19/h3-11,21-22,28H,2,12-18H2,1H3,(H,26,30)
InChIKeyBTEGXLJSVFJXIS-UHFFFAOYSA-N
XLogP3.05
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one
CID 977024
methyl 4-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]benzoate chloride
CID 46863809
[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 87022270
1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one
CID 11417286
N-benzyl-1-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidine-4-carboxamide
CID 32603172
N-benzyl-1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxamide
CID 32603232
1-[4-[3-[4-(benzenesulfonyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one
CID 44786575
1-[4-[2-hydroxy-3-[3-(phenoxymethyl)piperidin-1-yl]propoxy]phenyl]propan-1-one
CID 86973070
N-benzyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]acetamide
CID 24596406
4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid
CID 6486810
1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide
CID 110882716
N-[(4-fluorophenyl)methyl]-1-(2-hydroxybutyl)piperidine-4-carboxamide
CID 111544249

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidine-4-carboxamide (CID 24534494) is N-benzyl-1-[2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidine-4-carboxamide is CCC(=O)c1ccc(OCC(O)CN2CCC(C(=O)NCc3ccccc3)CC2)cc1.
What is the InChIKey of N-benzyl-1-[2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidine-4-carboxamide?
The InChIKey is BTEGXLJSVFJXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-2-24(29)20-8-10-23(11-9-20)31-18-22(28)17-27-14-12-21(13-15-27)25(30)26-16-19-6-4-3-5-7-19/h3-11,21-22,28H,2,12-18H2,1H3,(H,26,30).
What are the key properties of N-benzyl-1-[2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidine-4-carboxamide?
N-benzyl-1-[2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidine-4-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 3.05, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 24534494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).