2-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenoxy]acetamide

C15H23N3O2 — CID 43216337

IUPAC2-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenoxy]acetamide
SMILESCN1CCC(NCc2ccc(OCC(N)=O)cc2)CC1
InChIInChI=1S/C15H23N3O2/c1-18-8-6-13(7-9-18)17-10-12-2-4-14(5-3-12)20-11-15(16)19/h2-5,13,17H,6-11H2,1H3,(H2,16,19)
InChIKeyQBRPPECUJLTSFK-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.73
Rot. Bonds6

About 2-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenoxy]acetamide

2-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenoxy]acetamide (PubChem CID 43216337) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenoxy]acetamide
PubChem CID43216337
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenoxy]acetamide
SMILESCN1CCC(NCc2ccc(OCC(N)=O)cc2)CC1
InChIInChI=1S/C15H23N3O2/c1-18-8-6-13(7-9-18)17-10-12-2-4-14(5-3-12)20-11-15(16)19/h2-5,13,17H,6-11H2,1H3,(H2,16,19)
InChIKeyQBRPPECUJLTSFK-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(cyclohexylamino)methyl]phenoxy]acetamide
CID 2991496
2-[4-[[(4-ethylcyclohexyl)amino]methyl]phenoxy]acetamide
CID 60958128
N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 115213157
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43216489
N-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
CID 54950112
N-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 62439588
N-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
CID 61462393
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride
CID 126650805
1-[4-[(4-methoxyphenyl)methylamino]piperidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170861378
N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine
CID 60657865
N-[[4-(2-methylprop-2-enoxy)phenyl]methyl]cyclopentanamine
CID 54849864

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenoxy]acetamide (CID 43216337) is 2-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenoxy]acetamide is CN1CCC(NCc2ccc(OCC(N)=O)cc2)CC1.
What is the InChIKey of 2-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenoxy]acetamide?
The InChIKey is QBRPPECUJLTSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18-8-6-13(7-9-18)17-10-12-2-4-14(5-3-12)20-11-15(16)19/h2-5,13,17H,6-11H2,1H3,(H2,16,19).
What are the key properties of 2-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenoxy]acetamide?
2-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenoxy]acetamide has a molecular weight of 277.37 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 43216337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).