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

C15H23N3O2 — CID 62658835

IUPAC2-[3-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide
SMILESCN1CCCC(CNc2cccc(OCC(N)=O)c2)C1
InChIInChI=1S/C15H23N3O2/c1-18-7-3-4-12(10-18)9-17-13-5-2-6-14(8-13)20-11-15(16)19/h2,5-6,8,12,17H,3-4,7,9-11H2,1H3,(H2,16,19)
InChIKeyGDQVPGFSIBYCME-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.30
Rot. Bonds6

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

2-[3-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide (PubChem CID 62658835) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[3-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide
PubChem CID62658835
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[3-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide
SMILESCN1CCCC(CNc2cccc(OCC(N)=O)c2)C1
InChIInChI=1S/C15H23N3O2/c1-18-7-3-4-12(10-18)9-17-13-5-2-6-14(8-13)20-11-15(16)19/h2,5-6,8,12,17H,3-4,7,9-11H2,1H3,(H2,16,19)
InChIKeyGDQVPGFSIBYCME-UHFFFAOYSA-N
XLogP1.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide
CID 62654732
2-[3-(cyclohexylmethylamino)phenoxy]acetamide
CID 43720202
2-[3-(cyclopropylmethylamino)phenoxy]acetamide
CID 43720269
N-cyclopropyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62656504
methyl 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetate
CID 59230168
3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide
CID 62654182
N-[3-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43054004
2-[3-(2-methylpropylamino)phenoxy]acetamide
CID 43720195
N-methyl-2-[3-[(1-methylpiperidin-2-yl)methylamino]phenoxy]acetamide
CID 62655273
2-[3-(1-cyclopentylethylamino)phenoxy]acetamide
CID 62632459
3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62656715
2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzenecarbothioamide
CID 81276733

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide?
The IUPAC name of 2-[3-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide (CID 62658835) is 2-[3-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide is CN1CCCC(CNc2cccc(OCC(N)=O)c2)C1.
What is the InChIKey of 2-[3-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide?
The InChIKey is GDQVPGFSIBYCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18-7-3-4-12(10-18)9-17-13-5-2-6-14(8-13)20-11-15(16)19/h2,5-6,8,12,17H,3-4,7,9-11H2,1H3,(H2,16,19).
What are the key properties of 2-[3-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide?
2-[3-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide is sourced from PubChem (CID 62658835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).