2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-methylacetamide

C17H25N3O4 — CID 119488714

IUPAC2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(C(=O)N2CCCC(NC)C2)cc1OC
InChIInChI=1S/C17H25N3O4/c1-18-13-5-4-8-20(10-13)17(22)12-6-7-14(15(9-12)23-3)24-11-16(21)19-2/h6-7,9,13,18H,4-5,8,10-11H2,1-3H3,(H,19,21)
InChIKeyNBQGEASZCPQVIA-UHFFFAOYSA-N
MW335.40 g/mol
LogP0.64
Rot. Bonds6

About 2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-methylacetamide

2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-methylacetamide (PubChem CID 119488714) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-methylacetamide
PubChem CID119488714
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(C(=O)N2CCCC(NC)C2)cc1OC
InChIInChI=1S/C17H25N3O4/c1-18-13-5-4-8-20(10-13)17(22)12-6-7-14(15(9-12)23-3)24-11-16(21)19-2/h6-7,9,13,18H,4-5,8,10-11H2,1-3H3,(H,19,21)
InChIKeyNBQGEASZCPQVIA-UHFFFAOYSA-N
XLogP0.64
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-propan-2-ylacetamide
CID 119492705
(3-methoxy-4-prop-2-enoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119492614
2-[2-methoxy-4-[(3R)-3-methylpiperazine-1-carbonyl]phenoxy]-N-methylacetamide
CID 125119722
(3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488249
[4-(difluoromethoxy)-3-methoxyphenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493318
2-(2-methoxy-4-methylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 124575488
2-[4-(3-aminopiperidine-1-carbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 119380963
2-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-methoxyphenoxy]-N-methylacetamide
CID 120814212
(3,5-dimethoxy-4-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493630
2-methoxy-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119491799
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119490153
(3-ethoxy-4-propoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491736

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-methylacetamide (CID 119488714) is 2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-methylacetamide is CNC(=O)COc1ccc(C(=O)N2CCCC(NC)C2)cc1OC.
What is the InChIKey of 2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-methylacetamide?
The InChIKey is NBQGEASZCPQVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-18-13-5-4-8-20(10-13)17(22)12-6-7-14(15(9-12)23-3)24-11-16(21)19-2/h6-7,9,13,18H,4-5,8,10-11H2,1-3H3,(H,19,21).
What are the key properties of 2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-methylacetamide?
2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-methylacetamide has a molecular weight of 335.40 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 119488714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).