2-[4-[[methyl-[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenoxy]-1-piperidin-1-ylethanone

C22H29N3O2 — CID 99927298

IUPAC2-[4-[[methyl-[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenoxy]-1-piperidin-1-ylethanone
SMILESC[C@H](c1ccncc1)N(C)Cc1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-18(20-10-12-23-13-11-20)24(2)16-19-6-8-21(9-7-19)27-17-22(26)25-14-4-3-5-15-25/h6-13,18H,3-5,14-17H2,1-2H3/t18-/m1/s1
InChIKeyUYBASXBZLMTJRJ-GOSISDBHSA-N
MW367.49 g/mol
LogP3.67
Rot. Bonds7

About 2-[4-[[methyl-[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenoxy]-1-piperidin-1-ylethanone

2-[4-[[methyl-[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenoxy]-1-piperidin-1-ylethanone (PubChem CID 99927298) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-[4-[[methyl-[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenoxy]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[[methyl-[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenoxy]-1-piperidin-1-ylethanone
PubChem CID99927298
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-[4-[[methyl-[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenoxy]-1-piperidin-1-ylethanone
SMILESC[C@H](c1ccncc1)N(C)Cc1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-18(20-10-12-23-13-11-20)24(2)16-19-6-8-21(9-7-19)27-17-22(26)25-14-4-3-5-15-25/h6-13,18H,3-5,14-17H2,1-2H3/t18-/m1/s1
InChIKeyUYBASXBZLMTJRJ-GOSISDBHSA-N
XLogP3.67
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[methyl-[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenoxy]-1-piperidin-1-ylethanone with MolForge

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Related Compounds

2-[4-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 46984283
2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone
CID 103599891
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
2-[4-(1-aminopropyl)phenoxy]-1-piperidin-1-ylethanone
CID 43186019
2-[(4-ethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
CID 78786280
2-[4-[[(3-cyclohexyloxy-2-hydroxypropyl)-methylamino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 155984686
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
4-[2-(azepan-1-yl)-2-oxoethoxy]-N-benzyl-N-methylbenzenesulfonamide
CID 2214283
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 19169351
2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone
CID 54908646
2-[4-[[methyl-[(5-methylpyrazolidin-3-yl)methyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 75260585

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl-[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenoxy]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-[[methyl-[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenoxy]-1-piperidin-1-ylethanone (CID 99927298) is 2-[4-[[methyl-[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenoxy]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-[[methyl-[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenoxy]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-[[methyl-[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenoxy]-1-piperidin-1-ylethanone is C[C@H](c1ccncc1)N(C)Cc1ccc(OCC(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-[4-[[methyl-[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenoxy]-1-piperidin-1-ylethanone?
The InChIKey is UYBASXBZLMTJRJ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-18(20-10-12-23-13-11-20)24(2)16-19-6-8-21(9-7-19)27-17-22(26)25-14-4-3-5-15-25/h6-13,18H,3-5,14-17H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-[4-[[methyl-[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenoxy]-1-piperidin-1-ylethanone?
2-[4-[[methyl-[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenoxy]-1-piperidin-1-ylethanone has a molecular weight of 367.49 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl-[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenoxy]-1-piperidin-1-ylethanone is sourced from PubChem (CID 99927298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).