N-methyl-2-[3-[(1-methylpiperidin-2-yl)methylamino]phenoxy]acetamide

C16H25N3O2 — CID 62655273

IUPACN-methyl-2-[3-[(1-methylpiperidin-2-yl)methylamino]phenoxy]acetamide
SMILESCNC(=O)COc1cccc(NCC2CCCCN2C)c1
InChIInChI=1S/C16H25N3O2/c1-17-16(20)12-21-15-8-5-6-13(10-15)18-11-14-7-3-4-9-19(14)2/h5-6,8,10,14,18H,3-4,7,9,11-12H2,1-2H3,(H,17,20)
InChIKeyYQVCQNVHEOCMSY-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.71
Rot. Bonds6

About N-methyl-2-[3-[(1-methylpiperidin-2-yl)methylamino]phenoxy]acetamide

N-methyl-2-[3-[(1-methylpiperidin-2-yl)methylamino]phenoxy]acetamide (PubChem CID 62655273) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-methyl-2-[3-[(1-methylpiperidin-2-yl)methylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-[(1-methylpiperidin-2-yl)methylamino]phenoxy]acetamide
PubChem CID62655273
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-methyl-2-[3-[(1-methylpiperidin-2-yl)methylamino]phenoxy]acetamide
SMILESCNC(=O)COc1cccc(NCC2CCCCN2C)c1
InChIInChI=1S/C16H25N3O2/c1-17-16(20)12-21-15-8-5-6-13(10-15)18-11-14-7-3-4-9-19(14)2/h5-6,8,10,14,18H,3-4,7,9,11-12H2,1-2H3,(H,17,20)
InChIKeyYQVCQNVHEOCMSY-UHFFFAOYSA-N
XLogP1.71
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(dimethylamino)ethoxy]-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62659586
N-[(1-methylpyrrolidin-2-yl)methyl]-3-propoxyaniline
CID 83961015
N-methyl-2-[3-[(1-methylazepan-4-yl)amino]phenoxy]acetamide
CID 65070020
3-iodo-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62655252
N-[(1-methylpiperidin-2-yl)methyl]-3-methylsulfonylaniline
CID 62658865
3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline
CID 20738719
methyl 4-[(1-methylpiperidin-2-yl)methylamino]pyridine-2-carboxylate
CID 66285860
2-chloro-5-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 62657718
N-methyl-2-[3-[(1-methylpyrrol-2-yl)methylamino]phenoxy]acetamide
CID 62129281
2-[3-(1-azabicyclo[3.2.1]octan-4-ylamino)phenoxy]-N-methylacetamide
CID 105364030
2-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 43705402
(2R)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide
CID 103809015

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-[(1-methylpiperidin-2-yl)methylamino]phenoxy]acetamide?
The IUPAC name of N-methyl-2-[3-[(1-methylpiperidin-2-yl)methylamino]phenoxy]acetamide (CID 62655273) is N-methyl-2-[3-[(1-methylpiperidin-2-yl)methylamino]phenoxy]acetamide.
What is the SMILES notation for N-methyl-2-[3-[(1-methylpiperidin-2-yl)methylamino]phenoxy]acetamide?
The canonical SMILES for N-methyl-2-[3-[(1-methylpiperidin-2-yl)methylamino]phenoxy]acetamide is CNC(=O)COc1cccc(NCC2CCCCN2C)c1.
What is the InChIKey of N-methyl-2-[3-[(1-methylpiperidin-2-yl)methylamino]phenoxy]acetamide?
The InChIKey is YQVCQNVHEOCMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-17-16(20)12-21-15-8-5-6-13(10-15)18-11-14-7-3-4-9-19(14)2/h5-6,8,10,14,18H,3-4,7,9,11-12H2,1-2H3,(H,17,20).
What are the key properties of N-methyl-2-[3-[(1-methylpiperidin-2-yl)methylamino]phenoxy]acetamide?
N-methyl-2-[3-[(1-methylpiperidin-2-yl)methylamino]phenoxy]acetamide has a molecular weight of 291.40 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-[(1-methylpiperidin-2-yl)methylamino]phenoxy]acetamide is sourced from PubChem (CID 62655273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).