2-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-methoxyphenoxy]-N-methylacetamide

C18H27N3O4 — CID 120814212

IUPAC2-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-methoxyphenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(C(=O)N2CCC(N)C(C)(C)C2)cc1OC
InChIInChI=1S/C18H27N3O4/c1-18(2)11-21(8-7-15(18)19)17(23)12-5-6-13(14(9-12)24-4)25-10-16(22)20-3/h5-6,9,15H,7-8,10-11,19H2,1-4H3,(H,20,22)
InChIKeyFQVIIWFAQOXRIX-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.02
Rot. Bonds5

About 2-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-methoxyphenoxy]-N-methylacetamide

2-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-methoxyphenoxy]-N-methylacetamide (PubChem CID 120814212) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-methoxyphenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-methoxyphenoxy]-N-methylacetamide
PubChem CID120814212
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name2-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-methoxyphenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(C(=O)N2CCC(N)C(C)(C)C2)cc1OC
InChIInChI=1S/C18H27N3O4/c1-18(2)11-21(8-7-15(18)19)17(23)12-5-6-13(14(9-12)24-4)25-10-16(22)20-3/h5-6,9,15H,7-8,10-11,19H2,1-4H3,(H,20,22)
InChIKeyFQVIIWFAQOXRIX-UHFFFAOYSA-N
XLogP1.02
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 120813913
2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-methylacetamide
CID 119488714
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanone;dihydrochloride
CID 120815454
2-[2-methoxy-4-[(3R)-3-methylpiperazine-1-carbonyl]phenoxy]-N-methylacetamide
CID 125119722
5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N,N-diethyl-2-methoxybenzenesulfonamide
CID 120816050
(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 82043489
2-[4-(3-aminopiperidine-1-carbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 119380963
2-(5-acetyl-2-methoxyphenyl)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone
CID 120817845
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone
CID 120817657
2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-propan-2-ylacetamide
CID 119492705
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 120819018

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-methoxyphenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-methoxyphenoxy]-N-methylacetamide (CID 120814212) is 2-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-methoxyphenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-methoxyphenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-methoxyphenoxy]-N-methylacetamide is CNC(=O)COc1ccc(C(=O)N2CCC(N)C(C)(C)C2)cc1OC.
What is the InChIKey of 2-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-methoxyphenoxy]-N-methylacetamide?
The InChIKey is FQVIIWFAQOXRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-18(2)11-21(8-7-15(18)19)17(23)12-5-6-13(14(9-12)24-4)25-10-16(22)20-3/h5-6,9,15H,7-8,10-11,19H2,1-4H3,(H,20,22).
What are the key properties of 2-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-methoxyphenoxy]-N-methylacetamide?
2-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-methoxyphenoxy]-N-methylacetamide has a molecular weight of 349.43 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-methoxyphenoxy]-N-methylacetamide is sourced from PubChem (CID 120814212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).