N-[2-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide

C21H33N3O5 — CID 55723100

IUPACN-[2-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)NCCN2CC(C)CC(C)C2)cc(OC)c1OC
InChIInChI=1S/C21H33N3O5/c1-14-8-15(2)13-24(12-14)7-6-22-19(25)11-23-21(26)16-9-17(27-3)20(29-5)18(10-16)28-4/h9-10,14-15H,6-8,11-13H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyKAMGUZKTKNCBCQ-UHFFFAOYSA-N
MW407.51 g/mol
LogP1.54
Rot. Bonds9

About N-[2-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide

N-[2-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide (PubChem CID 55723100) has the molecular formula C21H33N3O5 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[2-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
PubChem CID55723100
Molecular FormulaC21H33N3O5
Molecular Weight407.51 g/mol
Exact Mass407.24
IUPAC NameN-[2-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)NCCN2CC(C)CC(C)C2)cc(OC)c1OC
InChIInChI=1S/C21H33N3O5/c1-14-8-15(2)13-24(12-14)7-6-22-19(25)11-23-21(26)16-9-17(27-3)20(29-5)18(10-16)28-4/h9-10,14-15H,6-8,11-13H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyKAMGUZKTKNCBCQ-UHFFFAOYSA-N
XLogP1.54
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 51161949
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3,4,5-trimethoxybenzamide
CID 55742851
methyl 2-[4-[2-(3,5-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-methoxyphenoxy]acetate
CID 55777250
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 112991569
N-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 55596801
2-(3,5-dimethylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 46800836
3-[2-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]amino]ethyldisulfanyl]propanoic acid
CID 166425184
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-methoxyacetamide
CID 94116441
N-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27562092
3-(3,4-dimethoxyphenyl)-N-[2-[3-(3,5-dimethylpiperidin-1-yl)propylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 22334172
tert-butyl N-[2-oxo-2-[2-[(3,4,5-trimethoxybenzoyl)amino]ethylamino]ethyl]carbamate
CID 108916210
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27646735

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide (CID 55723100) is N-[2-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCC(=O)NCCN2CC(C)CC(C)C2)cc(OC)c1OC.
What is the InChIKey of N-[2-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is KAMGUZKTKNCBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O5/c1-14-8-15(2)13-24(12-14)7-6-22-19(25)11-23-21(26)16-9-17(27-3)20(29-5)18(10-16)28-4/h9-10,14-15H,6-8,11-13H2,1-5H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
N-[2-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 407.51 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 55723100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).