2,3,4-trimethoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide

C19H30N2O4 — CID 60572108

IUPAC2,3,4-trimethoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C)CN2CCCC(C)C2)c(OC)c1OC
InChIInChI=1S/C19H30N2O4/c1-13-7-6-10-21(11-13)12-14(2)20-19(22)15-8-9-16(23-3)18(25-5)17(15)24-4/h8-9,13-14H,6-7,10-12H2,1-5H3,(H,20,22)
InChIKeySONIXKZQXRYYPU-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.56
Rot. Bonds7

About 2,3,4-trimethoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide

2,3,4-trimethoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide (PubChem CID 60572108) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide
PubChem CID60572108
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name2,3,4-trimethoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C)CN2CCCC(C)C2)c(OC)c1OC
InChIInChI=1S/C19H30N2O4/c1-13-7-6-10-21(11-13)12-14(2)20-19(22)15-8-9-16(23-3)18(25-5)17(15)24-4/h8-9,13-14H,6-7,10-12H2,1-5H3,(H,20,22)
InChIKeySONIXKZQXRYYPU-UHFFFAOYSA-N
XLogP2.56
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2,3,4-trimethoxybenzamide
CID 60574123
2-hydroxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide
CID 47379683
2,3,4-trimethoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 55980283
3-chloro-5-methoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-4-propoxybenzamide
CID 60572226
3-[(2,3,4-trimethoxybenzoyl)amino]butanoic acid
CID 43410447
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
2-(2-cyanophenyl)sulfanyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide
CID 60576162
methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate
CID 93035160
2-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]acetamide
CID 119863261
5-methyl-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 98750515
N-(1-hydroxypentan-3-yl)-2,3,4-trimethoxybenzamide
CID 115735137
2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 8023831

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide?
The IUPAC name of 2,3,4-trimethoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide (CID 60572108) is 2,3,4-trimethoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide is COc1ccc(C(=O)NC(C)CN2CCCC(C)C2)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide?
The InChIKey is SONIXKZQXRYYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-13-7-6-10-21(11-13)12-14(2)20-19(22)15-8-9-16(23-3)18(25-5)17(15)24-4/h8-9,13-14H,6-7,10-12H2,1-5H3,(H,20,22).
What are the key properties of 2,3,4-trimethoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide?
2,3,4-trimethoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide has a molecular weight of 350.46 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide is sourced from PubChem (CID 60572108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).