2-[4-[[methyl-[(5-methylpyrazolidin-3-yl)methyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone

C19H30N4O2 — CID 75260585

IUPAC2-[4-[[methyl-[(5-methylpyrazolidin-3-yl)methyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
SMILESCC1CC(CN(C)Cc2ccc(OCC(=O)N3CCCC3)cc2)NN1
InChIInChI=1S/C19H30N4O2/c1-15-11-17(21-20-15)13-22(2)12-16-5-7-18(8-6-16)25-14-19(24)23-9-3-4-10-23/h5-8,15,17,20-21H,3-4,9-14H2,1-2H3
InChIKeyPDVOXJKEHKBAOW-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.37
Rot. Bonds7

About 2-[4-[[methyl-[(5-methylpyrazolidin-3-yl)methyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone

2-[4-[[methyl-[(5-methylpyrazolidin-3-yl)methyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 75260585) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[4-[[methyl-[(5-methylpyrazolidin-3-yl)methyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[[methyl-[(5-methylpyrazolidin-3-yl)methyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
PubChem CID75260585
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-[4-[[methyl-[(5-methylpyrazolidin-3-yl)methyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
SMILESCC1CC(CN(C)Cc2ccc(OCC(=O)N3CCCC3)cc2)NN1
InChIInChI=1S/C19H30N4O2/c1-15-11-17(21-20-15)13-22(2)12-16-5-7-18(8-6-16)25-14-19(24)23-9-3-4-10-23/h5-8,15,17,20-21H,3-4,9-14H2,1-2H3
InChIKeyPDVOXJKEHKBAOW-UHFFFAOYSA-N
XLogP1.37
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[methyl-[(5-methylpyrazolidin-3-yl)methyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

2-[4-[[2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-ylmethyl(methyl)amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 75261427
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
2-[4-[[(3-cyclohexyloxy-2-hydroxypropyl)-methylamino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 155984686
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
2-[4-[[(2R,4R)-4-hydroxypyrrolidin-2-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 171619131
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
2-[4-(aminomethyl)phenoxy]-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 28744964
2-[4-[[methyl-[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenoxy]-1-piperidin-1-ylethanone
CID 99927298
2-(4-ethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 134026639
4-[2-(azepan-1-yl)-2-oxoethoxy]-N-benzyl-N-methylbenzenesulfonamide
CID 2214283
2-[4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]-1-piperidin-1-ylethanone
CID 99947078
2-[4-(3-aminopropyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 170879092

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl-[(5-methylpyrazolidin-3-yl)methyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-[[methyl-[(5-methylpyrazolidin-3-yl)methyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone (CID 75260585) is 2-[4-[[methyl-[(5-methylpyrazolidin-3-yl)methyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-[[methyl-[(5-methylpyrazolidin-3-yl)methyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-[[methyl-[(5-methylpyrazolidin-3-yl)methyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone is CC1CC(CN(C)Cc2ccc(OCC(=O)N3CCCC3)cc2)NN1.
What is the InChIKey of 2-[4-[[methyl-[(5-methylpyrazolidin-3-yl)methyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is PDVOXJKEHKBAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15-11-17(21-20-15)13-22(2)12-16-5-7-18(8-6-16)25-14-19(24)23-9-3-4-10-23/h5-8,15,17,20-21H,3-4,9-14H2,1-2H3.
What are the key properties of 2-[4-[[methyl-[(5-methylpyrazolidin-3-yl)methyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone?
2-[4-[[methyl-[(5-methylpyrazolidin-3-yl)methyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 346.48 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl-[(5-methylpyrazolidin-3-yl)methyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 75260585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).