2-[4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide

C16H25N3O2 — CID 61206346

IUPAC2-[4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide
SMILESCNCC1CCCN(Cc2ccc(OCC(N)=O)cc2)C1
InChIInChI=1S/C16H25N3O2/c1-18-9-14-3-2-8-19(11-14)10-13-4-6-15(7-5-13)21-12-16(17)20/h4-7,14,18H,2-3,8-12H2,1H3,(H2,17,20)
InChIKeyHAMZXXIYKXEELH-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.98
Rot. Bonds7

About 2-[4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide

2-[4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide (PubChem CID 61206346) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide
PubChem CID61206346
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-[4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide
SMILESCNCC1CCCN(Cc2ccc(OCC(N)=O)cc2)C1
InChIInChI=1S/C16H25N3O2/c1-18-9-14-3-2-8-19(11-14)10-13-4-6-15(7-5-13)21-12-16(17)20/h4-7,14,18H,2-3,8-12H2,1H3,(H2,17,20)
InChIKeyHAMZXXIYKXEELH-UHFFFAOYSA-N
XLogP0.98
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 63251014
2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 62069126
2-[4-[[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]phenoxy]acetamide
CID 95486417
1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 65479043
1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838446
methyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 61204990
2-[4-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide
CID 62654732
4-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethoxy]benzamide;hydrochloride
CID 119396958
4-(2-amino-2-oxoethoxy)-N-[1-[(4-fluorophenyl)methyl]-4-hydroxyazepan-3-yl]benzamide
CID 74505277
N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922021
2-[4-[[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid
CID 125019773
4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
CID 63248566

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide (CID 61206346) is 2-[4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide is CNCC1CCCN(Cc2ccc(OCC(N)=O)cc2)C1.
What is the InChIKey of 2-[4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide?
The InChIKey is HAMZXXIYKXEELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-18-9-14-3-2-8-19(11-14)10-13-4-6-15(7-5-13)21-12-16(17)20/h4-7,14,18H,2-3,8-12H2,1H3,(H2,17,20).
What are the key properties of 2-[4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide?
2-[4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide has a molecular weight of 291.40 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide is sourced from PubChem (CID 61206346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).