2,2-dichloro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide

C20H28Cl2N2O5 — CID 108564107

IUPAC2,2-dichloro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide
SMILESCCOc1cc(C(=O)N2CCC(NC(=O)C(Cl)Cl)CC2)cc(OCC)c1OCC
InChIInChI=1S/C20H28Cl2N2O5/c1-4-27-15-11-13(12-16(28-5-2)17(15)29-6-3)20(26)24-9-7-14(8-10-24)23-19(25)18(21)22/h11-12,14,18H,4-10H2,1-3H3,(H,23,25)
InChIKeyUGJHABWWZQKDAE-UHFFFAOYSA-N
MW447.36 g/mol
LogP3.41
Rot. Bonds9

About 2,2-dichloro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide

2,2-dichloro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide (PubChem CID 108564107) has the molecular formula C20H28Cl2N2O5 and a molecular weight of 447.36 g/mol. Its IUPAC name is 2,2-dichloro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide
PubChem CID108564107
Molecular FormulaC20H28Cl2N2O5
Molecular Weight447.36 g/mol
Exact Mass446.14
IUPAC Name2,2-dichloro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide
SMILESCCOc1cc(C(=O)N2CCC(NC(=O)C(Cl)Cl)CC2)cc(OCC)c1OCC
InChIInChI=1S/C20H28Cl2N2O5/c1-4-27-15-11-13(12-16(28-5-2)17(15)29-6-3)20(26)24-9-7-14(8-10-24)23-19(25)18(21)22/h11-12,14,18H,4-10H2,1-3H3,(H,23,25)
InChIKeyUGJHABWWZQKDAE-UHFFFAOYSA-N
XLogP3.41
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]carbamate
CID 108564110
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
[4-(methylaminomethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone;hydrochloride
CID 119543739
(3-chloro-5-ethoxy-4-propoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560795
(4-butoxy-3-chloro-5-ethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561521
3,4,5-triethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108550660
cyclobutyl-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone
CID 56510742
(4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 4065244
1-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]butan-1-one
CID 108567965
(3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560243
2,2-dichloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 108565559

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2,2-dichloro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide (CID 108564107) is 2,2-dichloro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide is CCOc1cc(C(=O)N2CCC(NC(=O)C(Cl)Cl)CC2)cc(OCC)c1OCC.
What is the InChIKey of 2,2-dichloro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide?
The InChIKey is UGJHABWWZQKDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28Cl2N2O5/c1-4-27-15-11-13(12-16(28-5-2)17(15)29-6-3)20(26)24-9-7-14(8-10-24)23-19(25)18(21)22/h11-12,14,18H,4-10H2,1-3H3,(H,23,25).
What are the key properties of 2,2-dichloro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide?
2,2-dichloro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide has a molecular weight of 447.36 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108564107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).