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

C17H27N3O2 — CID 119922266

IUPACN-[(3-methoxyphenyl)methyl]-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
SMILESCNCC1CCN(CC(=O)NCc2cccc(OC)c2)CC1
InChIInChI=1S/C17H27N3O2/c1-18-11-14-6-8-20(9-7-14)13-17(21)19-12-15-4-3-5-16(10-15)22-2/h3-5,10,14,18H,6-9,11-13H2,1-2H3,(H,19,21)
InChIKeyBJXWDYVOYLNSCQ-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.24
Rot. Bonds7

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

N-[(3-methoxyphenyl)methyl]-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide (PubChem CID 119922266) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
PubChem CID119922266
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
SMILESCNCC1CCN(CC(=O)NCc2cccc(OC)c2)CC1
InChIInChI=1S/C17H27N3O2/c1-18-11-14-6-8-20(9-7-14)13-17(21)19-12-15-4-3-5-16(10-15)22-2/h3-5,10,14,18H,6-9,11-13H2,1-2H3,(H,19,21)
InChIKeyBJXWDYVOYLNSCQ-UHFFFAOYSA-N
XLogP1.24
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921834
2-(4-aminopiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119907160
2-(4-fluoropiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 171701324
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 62062896
N-(3-methoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921880
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267740
N-[(3-methoxyphenyl)methyl]-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide
CID 51104314
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 27151351
2-(3-methoxyphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119538365
N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47111335
N-(2-aminoethyl)-1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 119916676

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide (CID 119922266) is N-[(3-methoxyphenyl)methyl]-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide is CNCC1CCN(CC(=O)NCc2cccc(OC)c2)CC1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide?
The InChIKey is BJXWDYVOYLNSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-18-11-14-6-8-20(9-7-14)13-17(21)19-12-15-4-3-5-16(10-15)22-2/h3-5,10,14,18H,6-9,11-13H2,1-2H3,(H,19,21).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide?
N-[(3-methoxyphenyl)methyl]-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide has a molecular weight of 305.42 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 119922266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).