(1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]methanone

C20H23N5O — CID 97254794

IUPAC(1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCn1c(C(=O)N2CCCC[C@@H]2Cn2ccnn2)ccc1-c1ccccc1
InChIInChI=1S/C20H23N5O/c1-23-18(16-7-3-2-4-8-16)10-11-19(23)20(26)25-13-6-5-9-17(25)15-24-14-12-21-22-24/h2-4,7-8,10-12,14,17H,5-6,9,13,15H2,1H3/t17-/m1/s1
InChIKeyYFSIVVRUJUCBIU-QGZVFWFLSA-N
MW349.44 g/mol
LogP2.98
Rot. Bonds4

About (1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]methanone

(1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 97254794) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID97254794
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCn1c(C(=O)N2CCCC[C@@H]2Cn2ccnn2)ccc1-c1ccccc1
InChIInChI=1S/C20H23N5O/c1-23-18(16-7-3-2-4-8-16)10-11-19(23)20(26)25-13-6-5-9-17(25)15-24-14-12-21-22-24/h2-4,7-8,10-12,14,17H,5-6,9,13,15H2,1H3/t17-/m1/s1
InChIKeyYFSIVVRUJUCBIU-QGZVFWFLSA-N
XLogP2.98
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone
CID 124696902
2-chloro-1-[2-(triazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 154846667
(2,4-dimethoxyphenyl)-[(2S)-2-(triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 97254793
(2,4-dimethoxyphenyl)-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 97254792
1-benzofuran-2-yl-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949540
[(2S)-2-(triazol-1-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 99856614
(5-methyl-2-pentan-3-ylpyrazol-3-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949713
(5-chloro-2-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949586
(3-chloro-4-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949710
(2-methoxypyrimidin-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 136586362
(1-cyclopentyl-5-methylpyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949755
[2-fluoro-3-(trifluoromethyl)phenyl]-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949588

Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]methanone (CID 97254794) is (1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]methanone is Cn1c(C(=O)N2CCCC[C@@H]2Cn2ccnn2)ccc1-c1ccccc1.
What is the InChIKey of (1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is YFSIVVRUJUCBIU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N5O/c1-23-18(16-7-3-2-4-8-16)10-11-19(23)20(26)25-13-6-5-9-17(25)15-24-14-12-21-22-24/h2-4,7-8,10-12,14,17H,5-6,9,13,15H2,1H3/t17-/m1/s1.
What are the key properties of (1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]methanone?
(1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 349.44 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 97254794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).