N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide

C17H26N2O3 — CID 125167110

IUPACN-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCCN2CCC[C@H](CO)C2)c1
InChIInChI=1S/C17H26N2O3/c1-14-4-2-6-16(10-14)22-13-17(21)18-7-9-19-8-3-5-15(11-19)12-20/h2,4,6,10,15,20H,3,5,7-9,11-13H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyOBBOEUGNWUNPLI-HNNXBMFYSA-N
MW306.41 g/mol
LogP1.19
Rot. Bonds7

About N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide

N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide (PubChem CID 125167110) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide
PubChem CID125167110
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCCN2CCC[C@H](CO)C2)c1
InChIInChI=1S/C17H26N2O3/c1-14-4-2-6-16(10-14)22-13-17(21)18-7-9-19-8-3-5-15(11-19)12-20/h2,4,6,10,15,20H,3,5,7-9,11-13H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyOBBOEUGNWUNPLI-HNNXBMFYSA-N
XLogP1.19
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide
CID 119620665
N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119620664
2-[(3S)-1-[2-(3-methylphenoxy)ethyl]piperidin-3-yl]ethanol
CID 94409239
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-methylphenoxy)acetamide
CID 47038146
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102238
2-(4-chloro-3-methylphenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
CID 55715629
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114454
N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methylphenoxy)azetidine-1-carboxamide
CID 122556550
N-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide
CID 134029943
2-(3-methylphenoxy)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619766
2-[3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 171908907

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide (CID 125167110) is N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NCCN2CCC[C@H](CO)C2)c1.
What is the InChIKey of N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is OBBOEUGNWUNPLI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-14-4-2-6-16(10-14)22-13-17(21)18-7-9-19-8-3-5-15(11-19)12-20/h2,4,6,10,15,20H,3,5,7-9,11-13H2,1H3,(H,18,21)/t15-/m0/s1.
What are the key properties of N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide?
N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 306.41 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 125167110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).