(5-benzyl-1H-pyrrol-2-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone

C19H21N5O — CID 136565445

IUPAC(5-benzyl-1H-pyrrol-2-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCC(n2ccnn2)C1
InChIInChI=1S/C19H21N5O/c25-19(23-11-4-7-17(14-23)24-12-10-20-22-24)18-9-8-16(21-18)13-15-5-2-1-3-6-15/h1-3,5-6,8-10,12,17,21H,4,7,11,13-14H2
InChIKeyRZTKYUXOSDMRAW-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.67
Rot. Bonds4

About (5-benzyl-1H-pyrrol-2-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone

(5-benzyl-1H-pyrrol-2-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone (PubChem CID 136565445) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is (5-benzyl-1H-pyrrol-2-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-benzyl-1H-pyrrol-2-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone
PubChem CID136565445
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name(5-benzyl-1H-pyrrol-2-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCC(n2ccnn2)C1
InChIInChI=1S/C19H21N5O/c25-19(23-11-4-7-17(14-23)24-12-10-20-22-24)18-9-8-16(21-18)13-15-5-2-1-3-6-15/h1-3,5-6,8-10,12,17,21H,4,7,11,13-14H2
InChIKeyRZTKYUXOSDMRAW-UHFFFAOYSA-N
XLogP2.67
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-benzyl-1H-pyrrol-2-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone 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

2-benzylsulfanyl-1-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone
CID 99877292
pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150784
(1-benzylpyrrol-2-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158674
(5-benzyl-1H-pyrrol-2-yl)-[2-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 136563085
(5-cyclohexyl-1H-pyrazol-3-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone
CID 128892235
3-bromo-6-methyl-5-[3-(triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 154737493
1-[1-(4-benzyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 166304225
[1-(2-phenylethyl)pyrrol-2-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95287919
(3-bromophenyl)-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877388
[4-(4-methylphenyl)phenyl]-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877322
3-(furan-2-yl)-1-[3-(triazol-1-yl)piperidin-1-yl]butan-1-one
CID 146108009
(3-naphthalen-2-yl-1H-pyrazol-5-yl)-[4-(triazol-1-yl)azepan-1-yl]methanone
CID 166250141

Frequently Asked Questions

What is the IUPAC name of (5-benzyl-1H-pyrrol-2-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-benzyl-1H-pyrrol-2-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone (CID 136565445) is (5-benzyl-1H-pyrrol-2-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-benzyl-1H-pyrrol-2-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-benzyl-1H-pyrrol-2-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone is O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCC(n2ccnn2)C1.
What is the InChIKey of (5-benzyl-1H-pyrrol-2-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is RZTKYUXOSDMRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c25-19(23-11-4-7-17(14-23)24-12-10-20-22-24)18-9-8-16(21-18)13-15-5-2-1-3-6-15/h1-3,5-6,8-10,12,17,21H,4,7,11,13-14H2.
What are the key properties of (5-benzyl-1H-pyrrol-2-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone?
(5-benzyl-1H-pyrrol-2-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 335.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-1H-pyrrol-2-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 136565445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).