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

C16H25N3O2 — CID 63251014

IUPAC2-[4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide
SMILESCNCC1CCN(Cc2ccc(OCC(N)=O)cc2)CC1
InChIInChI=1S/C16H25N3O2/c1-18-10-13-6-8-19(9-7-13)11-14-2-4-15(5-3-14)21-12-16(17)20/h2-5,13,18H,6-12H2,1H3,(H2,17,20)
InChIKeyUOVBPJCEWCCWRB-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.98
Rot. Bonds7

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

2-[4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide (PubChem CID 63251014) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide
PubChem CID63251014
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-[4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide
SMILESCNCC1CCN(Cc2ccc(OCC(N)=O)cc2)CC1
InChIInChI=1S/C16H25N3O2/c1-18-10-13-6-8-19(9-7-13)11-14-2-4-15(5-3-14)21-12-16(17)20/h2-5,13,18H,6-12H2,1H3,(H2,17,20)
InChIKeyUOVBPJCEWCCWRB-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-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 61206346
4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
CID 63248566
2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 62069126
4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119922608
N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119922484
1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838446
2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid
CID 23378235
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 16895737
2-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]phenoxy]acetamide
CID 106125082
N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922021
N-methyl-1-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119922494
2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248963

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide (CID 63251014) is 2-[4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide is CNCC1CCN(Cc2ccc(OCC(N)=O)cc2)CC1.
What is the InChIKey of 2-[4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide?
The InChIKey is UOVBPJCEWCCWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-18-10-13-6-8-19(9-7-13)11-14-2-4-15(5-3-14)21-12-16(17)20/h2-5,13,18H,6-12H2,1H3,(H2,17,20).
What are the key properties of 2-[4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide?
2-[4-[[4-(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-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide is sourced from PubChem (CID 63251014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).