2-[4-[[(2R,4R)-4-hydroxypyrrolidin-2-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone

C17H24N2O3 — CID 171619131

IUPAC2-[4-[[(2R,4R)-4-hydroxypyrrolidin-2-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc(C[C@@H]2C[C@@H](O)CN2)cc1)N1CCCC1
InChIInChI=1S/C17H24N2O3/c20-15-10-14(18-11-15)9-13-3-5-16(6-4-13)22-12-17(21)19-7-1-2-8-19/h3-6,14-15,18,20H,1-2,7-12H2/t14-,15-/m1/s1
InChIKeyMKPZIUAAACZCKS-HUUCEWRRSA-N
MW304.39 g/mol
LogP0.95
Rot. Bonds5

About 2-[4-[[(2R,4R)-4-hydroxypyrrolidin-2-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone

2-[4-[[(2R,4R)-4-hydroxypyrrolidin-2-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 171619131) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[4-[[(2R,4R)-4-hydroxypyrrolidin-2-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[[(2R,4R)-4-hydroxypyrrolidin-2-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
PubChem CID171619131
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-[4-[[(2R,4R)-4-hydroxypyrrolidin-2-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc(C[C@@H]2C[C@@H](O)CN2)cc1)N1CCCC1
InChIInChI=1S/C17H24N2O3/c20-15-10-14(18-11-15)9-13-3-5-16(6-4-13)22-12-17(21)19-7-1-2-8-19/h3-6,14-15,18,20H,1-2,7-12H2/t14-,15-/m1/s1
InChIKeyMKPZIUAAACZCKS-HUUCEWRRSA-N
XLogP0.95
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
2-[4-(3-aminopropyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 170879092
4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
CID 8566237
2-[4-[[methyl-[(5-methylpyrazolidin-3-yl)methyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 75260585
2-(4-ethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 134026639
4-[2-(azepan-1-yl)-2-oxoethoxy]benzenecarbothioamide
CID 24689917
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
1-pyrrolidin-1-yl-2-[4-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 71996858
2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 19169351
1-(azocan-1-yl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone
CID 55397362

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R,4R)-4-hydroxypyrrolidin-2-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-[[(2R,4R)-4-hydroxypyrrolidin-2-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone (CID 171619131) is 2-[4-[[(2R,4R)-4-hydroxypyrrolidin-2-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-[[(2R,4R)-4-hydroxypyrrolidin-2-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-[[(2R,4R)-4-hydroxypyrrolidin-2-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone is O=C(COc1ccc(C[C@@H]2C[C@@H](O)CN2)cc1)N1CCCC1.
What is the InChIKey of 2-[4-[[(2R,4R)-4-hydroxypyrrolidin-2-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is MKPZIUAAACZCKS-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-15-10-14(18-11-15)9-13-3-5-16(6-4-13)22-12-17(21)19-7-1-2-8-19/h3-6,14-15,18,20H,1-2,7-12H2/t14-,15-/m1/s1.
What are the key properties of 2-[4-[[(2R,4R)-4-hydroxypyrrolidin-2-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone?
2-[4-[[(2R,4R)-4-hydroxypyrrolidin-2-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 304.39 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R,4R)-4-hydroxypyrrolidin-2-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 171619131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).