[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone

C20H23N5O — CID 154747574

IUPAC[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESCCn1cnnc1C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C20H23N5O/c1-2-23-15-21-22-19(23)16-9-13-25(14-10-16)20(26)17-5-7-18(8-6-17)24-11-3-4-12-24/h3-8,11-12,15-16H,2,9-10,13-14H2,1H3
InChIKeyVCFCQFNITORWFM-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.11
Rot. Bonds4

About [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone

[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone (PubChem CID 154747574) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
PubChem CID154747574
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESCCn1cnnc1C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C20H23N5O/c1-2-23-15-21-22-19(23)16-9-13-25(14-10-16)20(26)17-5-7-18(8-6-17)24-11-3-4-12-24/h3-8,11-12,15-16H,2,9-10,13-14H2,1H3
InChIKeyVCFCQFNITORWFM-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 56824322
[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 110421376
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 154737982
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 95271676
1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid
CID 45341241
(3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 62917916
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 66262361
[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone
CID 53192503
2-[benzyl(methyl)amino]-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 56779983
pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 3728001
2-[[4-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione
CID 86935419
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 72897232

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The IUPAC name of [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone (CID 154747574) is [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone is CCn1cnnc1C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1.
What is the InChIKey of [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The InChIKey is VCFCQFNITORWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-2-23-15-21-22-19(23)16-9-13-25(14-10-16)20(26)17-5-7-18(8-6-17)24-11-3-4-12-24/h3-8,11-12,15-16H,2,9-10,13-14H2,1H3.
What are the key properties of [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone has a molecular weight of 349.44 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 154747574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).