(2R)-2-phenoxy-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one

C15H18N4O2 — CID 124892362

IUPAC(2R)-2-phenoxy-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESC[C@@H](Oc1ccccc1)C(=O)N1CC[C@H](n2nccn2)C1
InChIInChI=1S/C15H18N4O2/c1-12(21-14-5-3-2-4-6-14)15(20)18-10-7-13(11-18)19-16-8-9-17-19/h2-6,8-9,12-13H,7,10-11H2,1H3/t12-,13+/m1/s1
InChIKeyQPOCBUDRSNESHD-OLZOCXBDSA-N
MW286.33 g/mol
LogP1.52
Rot. Bonds4

About (2R)-2-phenoxy-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one

(2R)-2-phenoxy-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 124892362) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2R)-2-phenoxy-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-phenoxy-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID124892362
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(2R)-2-phenoxy-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESC[C@@H](Oc1ccccc1)C(=O)N1CC[C@H](n2nccn2)C1
InChIInChI=1S/C15H18N4O2/c1-12(21-14-5-3-2-4-6-14)15(20)18-10-7-13(11-18)19-16-8-9-17-19/h2-6,8-9,12-13H,7,10-11H2,1H3/t12-,13+/m1/s1
InChIKeyQPOCBUDRSNESHD-OLZOCXBDSA-N
XLogP1.52
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-2-phenoxy-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 66262018
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
(2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one
CID 669843
(3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid
CID 81119430
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 119520564
(2R)-1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 95736839
methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
CID 3927625
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 124726818
2-phenoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)propan-1-one
CID 71798614
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 110885318
(2R)-1-(4-cyclohexylpiperazin-1-yl)-2-phenoxypropan-1-one
CID 42561059
(2S)-1-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 100626242

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenoxy-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-phenoxy-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one (CID 124892362) is (2R)-2-phenoxy-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-phenoxy-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-phenoxy-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one is C[C@@H](Oc1ccccc1)C(=O)N1CC[C@H](n2nccn2)C1.
What is the InChIKey of (2R)-2-phenoxy-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is QPOCBUDRSNESHD-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-12(21-14-5-3-2-4-6-14)15(20)18-10-7-13(11-18)19-16-8-9-17-19/h2-6,8-9,12-13H,7,10-11H2,1H3/t12-,13+/m1/s1.
What are the key properties of (2R)-2-phenoxy-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one?
(2R)-2-phenoxy-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 286.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenoxy-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 124892362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).