2-phenoxy-1-[(3R)-3-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrrolidin-1-yl]ethanone

C18H22N4O2 — CID 125141317

IUPAC2-phenoxy-1-[(3R)-3-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrrolidin-1-yl]ethanone
SMILESC[C@@H](N[C@@H]1CCN(C(=O)COc2ccccc2)C1)c1cnccn1
InChIInChI=1S/C18H22N4O2/c1-14(17-11-19-8-9-20-17)21-15-7-10-22(12-15)18(23)13-24-16-5-3-2-4-6-16/h2-6,8-9,11,14-15,21H,7,10,12-13H2,1H3/t14-,15-/m1/s1
InChIKeyCBELPDNIXSDSKL-HUUCEWRRSA-N
MW326.40 g/mol
LogP1.81
Rot. Bonds6

About 2-phenoxy-1-[(3R)-3-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrrolidin-1-yl]ethanone

2-phenoxy-1-[(3R)-3-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrrolidin-1-yl]ethanone (PubChem CID 125141317) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-phenoxy-1-[(3R)-3-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[(3R)-3-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrrolidin-1-yl]ethanone
PubChem CID125141317
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-phenoxy-1-[(3R)-3-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrrolidin-1-yl]ethanone
SMILESC[C@@H](N[C@@H]1CCN(C(=O)COc2ccccc2)C1)c1cnccn1
InChIInChI=1S/C18H22N4O2/c1-14(17-11-19-8-9-20-17)21-15-7-10-22(12-15)18(23)13-24-16-5-3-2-4-6-16/h2-6,8-9,11,14-15,21H,7,10,12-13H2,1H3/t14-,15-/m1/s1
InChIKeyCBELPDNIXSDSKL-HUUCEWRRSA-N
XLogP1.81
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-phenoxy-1-[(3R)-3-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

1-(3-anilinopyrrolidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 56504074
tert-butyl 4-[[(1S)-1-pyrazin-2-ylethyl]amino]piperidine-1-carboxylate
CID 97175693
1-[4-(1-pyridin-2-ylethylamino)piperidin-1-yl]ethanone
CID 43223671
1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]-2-phenoxyethanone
CID 167912396
methyl 4-[2-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]-2-oxoethoxy]benzoate
CID 67406803
1-(3-methoxypyrrolidin-1-yl)-2-phenoxyethanone
CID 108730501
2-methylpropyl N-[1-(2-phenoxyacetyl)piperidin-4-yl]carbamate
CID 108566230
N-[(3S)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]thiomorpholine-4-carboxamide
CID 124846611
N,N-dimethyl-4-[[(1S)-1-pyridin-2-ylethyl]amino]piperidine-1-carboxamide
CID 83262155
1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid
CID 119353905
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
2-phenoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241143

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[(3R)-3-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[(3R)-3-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrrolidin-1-yl]ethanone (CID 125141317) is 2-phenoxy-1-[(3R)-3-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[(3R)-3-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[(3R)-3-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrrolidin-1-yl]ethanone is C[C@@H](N[C@@H]1CCN(C(=O)COc2ccccc2)C1)c1cnccn1.
What is the InChIKey of 2-phenoxy-1-[(3R)-3-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrrolidin-1-yl]ethanone?
The InChIKey is CBELPDNIXSDSKL-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-14(17-11-19-8-9-20-17)21-15-7-10-22(12-15)18(23)13-24-16-5-3-2-4-6-16/h2-6,8-9,11,14-15,21H,7,10,12-13H2,1H3/t14-,15-/m1/s1.
What are the key properties of 2-phenoxy-1-[(3R)-3-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrrolidin-1-yl]ethanone?
2-phenoxy-1-[(3R)-3-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrrolidin-1-yl]ethanone has a molecular weight of 326.40 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[(3R)-3-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 125141317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).