1-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxamide

C17H24N2O4 — CID 6926891

IUPAC1-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxamide
SMILESCC(=O)c1ccc(OC[C@@H](O)CN2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C17H24N2O4/c1-12(20)13-2-4-16(5-3-13)23-11-15(21)10-19-8-6-14(7-9-19)17(18)22/h2-5,14-15,21H,6-11H2,1H3,(H2,18,22)/t15-/m0/s1
InChIKeyIXOJUAYLXGBRQX-HNNXBMFYSA-N
MW320.39 g/mol
LogP0.83
Rot. Bonds7

About 1-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxamide

1-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxamide (PubChem CID 6926891) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxamide
PubChem CID6926891
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name1-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxamide
SMILESCC(=O)c1ccc(OC[C@@H](O)CN2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C17H24N2O4/c1-12(20)13-2-4-16(5-3-13)23-11-15(21)10-19-8-6-14(7-9-19)17(18)22/h2-5,14-15,21H,6-11H2,1H3,(H2,18,22)/t15-/m0/s1
InChIKeyIXOJUAYLXGBRQX-HNNXBMFYSA-N
XLogP0.83
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]ethanone
CID 4551855
1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone;hydrochloride
CID 16806994
1-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperidine-4-carboxamide
CID 2520625
1-[4-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 4227652
1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidine-4-carboxamide
CID 3519556
1-[4-[(2S)-2-hydroxy-3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7125581
4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid
CID 6486810
1-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperidine-4-carboxamide
CID 6926883
1-[4-[(2S)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
CID 7157868
1-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone chloride
CID 53313566
[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 87022270
4-[2-hydroxy-3-[4-(4-methylbenzoyl)piperidin-1-yl]propoxy]benzonitrile
CID 55865672

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxamide (CID 6926891) is 1-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxamide is CC(=O)c1ccc(OC[C@@H](O)CN2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxamide?
The InChIKey is IXOJUAYLXGBRQX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12(20)13-2-4-16(5-3-13)23-11-15(21)10-19-8-6-14(7-9-19)17(18)22/h2-5,14-15,21H,6-11H2,1H3,(H2,18,22)/t15-/m0/s1.
What are the key properties of 1-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxamide?
1-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxamide is sourced from PubChem (CID 6926891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).