[4-(triazol-1-yl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone

C20H28N4O4 — CID 121151312

IUPAC[4-(triazol-1-yl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
SMILESCCOc1cc(C(=O)N2CCC(n3ccnn3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C20H28N4O4/c1-4-26-17-13-15(14-18(27-5-2)19(17)28-6-3)20(25)23-10-7-16(8-11-23)24-12-9-21-22-24/h9,12-14,16H,4-8,10-11H2,1-3H3
InChIKeyDIZVXCDMNAWZLH-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.95
Rot. Bonds8

About [4-(triazol-1-yl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone

[4-(triazol-1-yl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone (PubChem CID 121151312) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is [4-(triazol-1-yl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(triazol-1-yl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
PubChem CID121151312
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name[4-(triazol-1-yl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
SMILESCCOc1cc(C(=O)N2CCC(n3ccnn3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C20H28N4O4/c1-4-26-17-13-15(14-18(27-5-2)19(17)28-6-3)20(25)23-10-7-16(8-11-23)24-12-9-21-22-24/h9,12-14,16H,4-8,10-11H2,1-3H3
InChIKeyDIZVXCDMNAWZLH-UHFFFAOYSA-N
XLogP2.95
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(triazol-1-yl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)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

N-(2-ethoxyphenyl)-4-(triazol-1-yl)piperidine-1-carboxamide
CID 121151383
[4-(methylaminomethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone;hydrochloride
CID 119543739
[4-(4-methylphenyl)phenyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone
CID 121151194
methyl N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]carbamate
CID 108564110
cyclobutyl-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone
CID 56510742
(4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 4065244
[4-(benzenesulfonyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 90589363
[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone
CID 86783548
1-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]butan-1-one
CID 108567965
2,2-dichloro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide
CID 108564107
1,1-dimethyl-3-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]urea
CID 108564112
2,2,2-trifluoro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide
CID 108548679

Frequently Asked Questions

What is the IUPAC name of [4-(triazol-1-yl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone?
The IUPAC name of [4-(triazol-1-yl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone (CID 121151312) is [4-(triazol-1-yl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone.
What is the SMILES notation for [4-(triazol-1-yl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone?
The canonical SMILES for [4-(triazol-1-yl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone is CCOc1cc(C(=O)N2CCC(n3ccnn3)CC2)cc(OCC)c1OCC.
What is the InChIKey of [4-(triazol-1-yl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone?
The InChIKey is DIZVXCDMNAWZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-4-26-17-13-15(14-18(27-5-2)19(17)28-6-3)20(25)23-10-7-16(8-11-23)24-12-9-21-22-24/h9,12-14,16H,4-8,10-11H2,1-3H3.
What are the key properties of [4-(triazol-1-yl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone?
[4-(triazol-1-yl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone has a molecular weight of 388.47 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(triazol-1-yl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone is sourced from PubChem (CID 121151312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).