2-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2-methoxyphenoxy]acetamide;hydrochloride

C18H28ClN3O4 — CID 119644854

IUPAC2-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2-methoxyphenoxy]acetamide;hydrochloride
SMILESCCNCC1CCN(C(=O)c2ccc(OCC(N)=O)c(OC)c2)CC1.Cl
InChIInChI=1S/C18H27N3O4.ClH/c1-3-20-11-13-6-8-21(9-7-13)18(23)14-4-5-15(16(10-14)24-2)25-12-17(19)22;/h4-5,10,13,20H,3,6-9,11-12H2,1-2H3,(H2,19,22);1H
InChIKeyASVGZWJCJYQQAT-UHFFFAOYSA-N
MW385.89 g/mol
LogP1.44
Rot. Bonds8

About 2-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2-methoxyphenoxy]acetamide;hydrochloride

2-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2-methoxyphenoxy]acetamide;hydrochloride (PubChem CID 119644854) has the molecular formula C18H28ClN3O4 and a molecular weight of 385.89 g/mol. Its IUPAC name is 2-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2-methoxyphenoxy]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2-methoxyphenoxy]acetamide;hydrochloride
PubChem CID119644854
Molecular FormulaC18H28ClN3O4
Molecular Weight385.89 g/mol
Exact Mass385.18
IUPAC Name2-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2-methoxyphenoxy]acetamide;hydrochloride
SMILESCCNCC1CCN(C(=O)c2ccc(OCC(N)=O)c(OC)c2)CC1.Cl
InChIInChI=1S/C18H27N3O4.ClH/c1-3-20-11-13-6-8-21(9-7-13)18(23)14-4-5-15(16(10-14)24-2)25-12-17(19)22;/h4-5,10,13,20H,3,6-9,11-12H2,1-2H3,(H2,19,22);1H
InChIKeyASVGZWJCJYQQAT-UHFFFAOYSA-N
XLogP1.44
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390
2-[2-methoxy-4-[(4R)-4-propylazepane-1-carbonyl]phenoxy]acetamide
CID 94797465
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 80550753
(3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119644683
(3,5-dimethoxy-4-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119648224
2-[4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide
CID 32771644
(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 82043489
(4,5-dimethoxy-2-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647359
2-[1-(3-hydroxy-4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 79672061
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
(3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957769
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methoxy-4-prop-2-enylphenoxy)ethanone;hydrochloride
CID 119645236

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2-methoxyphenoxy]acetamide;hydrochloride?
The IUPAC name of 2-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2-methoxyphenoxy]acetamide;hydrochloride (CID 119644854) is 2-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2-methoxyphenoxy]acetamide;hydrochloride.
What is the SMILES notation for 2-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2-methoxyphenoxy]acetamide;hydrochloride?
The canonical SMILES for 2-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2-methoxyphenoxy]acetamide;hydrochloride is CCNCC1CCN(C(=O)c2ccc(OCC(N)=O)c(OC)c2)CC1.Cl.
What is the InChIKey of 2-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2-methoxyphenoxy]acetamide;hydrochloride?
The InChIKey is ASVGZWJCJYQQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4.ClH/c1-3-20-11-13-6-8-21(9-7-13)18(23)14-4-5-15(16(10-14)24-2)25-12-17(19)22;/h4-5,10,13,20H,3,6-9,11-12H2,1-2H3,(H2,19,22);1H.
What are the key properties of 2-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2-methoxyphenoxy]acetamide;hydrochloride?
2-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2-methoxyphenoxy]acetamide;hydrochloride has a molecular weight of 385.89 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2-methoxyphenoxy]acetamide;hydrochloride is sourced from PubChem (CID 119644854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).