(3R)-N-(2-phenylethyl)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-3-carboxamide

C17H21N5O2 — CID 92633456

IUPAC(3R)-N-(2-phenylethyl)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)[C@@H]1CCN(C(=O)Cn2cncn2)C1
InChIInChI=1S/C17H21N5O2/c23-16(11-22-13-18-12-20-22)21-9-7-15(10-21)17(24)19-8-6-14-4-2-1-3-5-14/h1-5,12-13,15H,6-11H2,(H,19,24)/t15-/m1/s1
InChIKeyOJGRIYJTRJLLQG-OAHLLOKOSA-N
MW327.39 g/mol
LogP0.49
Rot. Bonds6

About (3R)-N-(2-phenylethyl)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-3-carboxamide

(3R)-N-(2-phenylethyl)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-3-carboxamide (PubChem CID 92633456) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (3R)-N-(2-phenylethyl)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-phenylethyl)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-3-carboxamide
PubChem CID92633456
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(3R)-N-(2-phenylethyl)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)[C@@H]1CCN(C(=O)Cn2cncn2)C1
InChIInChI=1S/C17H21N5O2/c23-16(11-22-13-18-12-20-22)21-9-7-15(10-21)17(24)19-8-6-14-4-2-1-3-5-14/h1-5,12-13,15H,6-11H2,(H,19,24)/t15-/m1/s1
InChIKeyOJGRIYJTRJLLQG-OAHLLOKOSA-N
XLogP0.49
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-(2-phenylethyl)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 42395968
N-(2-phenylethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146131423
(3R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 28789819
(3R)-1-[2-(benzotriazol-1-yl)acetyl]-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 92633431
(3R)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 92633558
1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 3222789
(3S)-1-N,1-N-diethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 51941062
N-[2-(4-chlorophenyl)ethyl]-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 110246471
(3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 7435336
1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 47984523
(3S)-1-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95435881
(3R)-1-(1-methyl-6-oxopyridine-3-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 92633580

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-phenylethyl)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-phenylethyl)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-3-carboxamide (CID 92633456) is (3R)-N-(2-phenylethyl)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-phenylethyl)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-phenylethyl)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-3-carboxamide is O=C(NCCc1ccccc1)[C@@H]1CCN(C(=O)Cn2cncn2)C1.
What is the InChIKey of (3R)-N-(2-phenylethyl)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-3-carboxamide?
The InChIKey is OJGRIYJTRJLLQG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-16(11-22-13-18-12-20-22)21-9-7-15(10-21)17(24)19-8-6-14-4-2-1-3-5-14/h1-5,12-13,15H,6-11H2,(H,19,24)/t15-/m1/s1.
What are the key properties of (3R)-N-(2-phenylethyl)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-3-carboxamide?
(3R)-N-(2-phenylethyl)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-phenylethyl)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92633456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).