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

C20H32N2O4 — CID 60574123

IUPACN-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)CN2CC(C)CC(C)C2)c(OC)c1OC
InChIInChI=1S/C20H32N2O4/c1-13-9-14(2)11-22(10-13)12-15(3)21-20(23)16-7-8-17(24-4)19(26-6)18(16)25-5/h7-8,13-15H,9-12H2,1-6H3,(H,21,23)
InChIKeyLWFDCAUONKEZRT-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.81
Rot. Bonds7

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

N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2,3,4-trimethoxybenzamide (PubChem CID 60574123) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2,3,4-trimethoxybenzamide
PubChem CID60574123
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC NameN-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)CN2CC(C)CC(C)C2)c(OC)c1OC
InChIInChI=1S/C20H32N2O4/c1-13-9-14(2)11-22(10-13)12-15(3)21-20(23)16-7-8-17(24-4)19(26-6)18(16)25-5/h7-8,13-15H,9-12H2,1-6H3,(H,21,23)
InChIKeyLWFDCAUONKEZRT-UHFFFAOYSA-N
XLogP2.81
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,4-trimethoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide
CID 60572108
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-methoxy-4-methylbenzamide
CID 60573440
3-[(2,3,4-trimethoxybenzoyl)amino]butanoic acid
CID 43410447
4-chloro-N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-2-fluorobenzamide
CID 98726755
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-(2-methoxyethylamino)acetamide
CID 119863555
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-methylquinoline-4-carboxamide
CID 60574501
N-(1-hydroxypentan-3-yl)-2,3,4-trimethoxybenzamide
CID 115735137
N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]pyrimidine-2-carboxamide
CID 95772449
2,3,4-trimethoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 55980283
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2522249
3-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]pyrazine-2-carboxamide
CID 60574444
N-(3-chloro-2-methylpropyl)-2,3,4-trimethoxybenzamide
CID 114302515

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2,3,4-trimethoxybenzamide?
The IUPAC name of N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2,3,4-trimethoxybenzamide (CID 60574123) is N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2,3,4-trimethoxybenzamide is COc1ccc(C(=O)NC(C)CN2CC(C)CC(C)C2)c(OC)c1OC.
What is the InChIKey of N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2,3,4-trimethoxybenzamide?
The InChIKey is LWFDCAUONKEZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-13-9-14(2)11-22(10-13)12-15(3)21-20(23)16-7-8-17(24-4)19(26-6)18(16)25-5/h7-8,13-15H,9-12H2,1-6H3,(H,21,23).
What are the key properties of N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2,3,4-trimethoxybenzamide?
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2,3,4-trimethoxybenzamide has a molecular weight of 364.49 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 60574123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).