[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone

C24H28N4O2 — CID 33304479

IUPAC[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESCCOc1ccc(CCC2CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)cc1
InChIInChI=1S/C24H28N4O2/c1-2-30-23-11-5-19(6-12-23)3-4-20-13-15-27(16-14-20)24(29)21-7-9-22(10-8-21)28-18-25-17-26-28/h5-12,17-18,20H,2-4,13-16H2,1H3
InChIKeyNBHFYHUNBQVUCC-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.15
Rot. Bonds7

About [4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone

[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone (PubChem CID 33304479) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is [4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
PubChem CID33304479
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESCCOc1ccc(CCC2CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)cc1
InChIInChI=1S/C24H28N4O2/c1-2-30-23-11-5-19(6-12-23)3-4-20-13-15-27(16-14-20)24(29)21-7-9-22(10-8-21)28-18-25-17-26-28/h5-12,17-18,20H,2-4,13-16H2,1H3
InChIKeyNBHFYHUNBQVUCC-UHFFFAOYSA-N
XLogP4.15
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone with MolForge

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Related Compounds

[4-[2-(4-methoxyphenyl)ethyl-methylamino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 23285036
1,3-benzothiazol-6-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 24575268
[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 24575278
(4-benzylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 27162681
5-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-2-methylisoindole-1,3-dione
CID 24586303
4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 136522753
2-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]phenoxy]acetamide
CID 17409629
3-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 119275974
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 46576805
5-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide
CID 86890205
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(2-nitrophenyl)methanone
CID 24575263

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone?
The IUPAC name of [4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone (CID 33304479) is [4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone.
What is the SMILES notation for [4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone?
The canonical SMILES for [4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone is CCOc1ccc(CCC2CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)cc1.
What is the InChIKey of [4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone?
The InChIKey is NBHFYHUNBQVUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-2-30-23-11-5-19(6-12-23)3-4-20-13-15-27(16-14-20)24(29)21-7-9-22(10-8-21)28-18-25-17-26-28/h5-12,17-18,20H,2-4,13-16H2,1H3.
What are the key properties of [4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone?
[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone has a molecular weight of 404.51 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone is sourced from PubChem (CID 33304479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).