2-[3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]phenoxy]acetamide

C18H27N3O2 — CID 91830993

IUPAC2-[3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]phenoxy]acetamide
SMILESCC1CCCCN1C1CN(Cc2cccc(OCC(N)=O)c2)C1
InChIInChI=1S/C18H27N3O2/c1-14-5-2-3-8-21(14)16-11-20(12-16)10-15-6-4-7-17(9-15)23-13-18(19)22/h4,6-7,9,14,16H,2-3,5,8,10-13H2,1H3,(H2,19,22)
InChIKeyRHFARSZKWMGHDD-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.61
Rot. Bonds6

About 2-[3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]phenoxy]acetamide

2-[3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]phenoxy]acetamide (PubChem CID 91830993) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]phenoxy]acetamide
PubChem CID91830993
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-[3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]phenoxy]acetamide
SMILESCC1CCCCN1C1CN(Cc2cccc(OCC(N)=O)c2)C1
InChIInChI=1S/C18H27N3O2/c1-14-5-2-3-8-21(14)16-11-20(12-16)10-15-6-4-7-17(9-15)23-13-18(19)22/h4,6-7,9,14,16H,2-3,5,8,10-13H2,1H3,(H2,19,22)
InChIKeyRHFARSZKWMGHDD-UHFFFAOYSA-N
XLogP1.61
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 133123905
2-[3-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 77080552
1-[[3-(cyclohexylmethoxy)phenyl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125440
2-[3-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 95310383
2-[3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 171908907
4-[3-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]propoxy]benzoic acid
CID 91828422
2-[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 59159110
2-[3-(methylaminomethyl)phenoxy]-1-(2-methylpiperidin-1-yl)ethanone
CID 106486108
4-(2-amino-2-oxoethoxy)-N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]azepan-3-yl]benzamide
CID 74505286
3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine
CID 14026189
1-[(3-ethoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65066222
2-[3-[[[N'-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]carbamimidoyl]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111769082

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]phenoxy]acetamide (CID 91830993) is 2-[3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]phenoxy]acetamide is CC1CCCCN1C1CN(Cc2cccc(OCC(N)=O)c2)C1.
What is the InChIKey of 2-[3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]phenoxy]acetamide?
The InChIKey is RHFARSZKWMGHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-5-2-3-8-21(14)16-11-20(12-16)10-15-6-4-7-17(9-15)23-13-18(19)22/h4,6-7,9,14,16H,2-3,5,8,10-13H2,1H3,(H2,19,22).
What are the key properties of 2-[3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]phenoxy]acetamide?
2-[3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]phenoxy]acetamide has a molecular weight of 317.43 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]phenoxy]acetamide is sourced from PubChem (CID 91830993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).