3,4,5-trimethoxy-N-(2-piperidin-1-ylpropyl)benzamide

C18H28N2O4 — CID 112502315

IUPAC3,4,5-trimethoxy-N-(2-piperidin-1-ylpropyl)benzamide
SMILESCOc1cc(C(=O)NCC(C)N2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C18H28N2O4/c1-13(20-8-6-5-7-9-20)12-19-18(21)14-10-15(22-2)17(24-4)16(11-14)23-3/h10-11,13H,5-9,12H2,1-4H3,(H,19,21)
InChIKeyMCRMDEVZGVWMGG-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.32
Rot. Bonds7

About 3,4,5-trimethoxy-N-(2-piperidin-1-ylpropyl)benzamide

3,4,5-trimethoxy-N-(2-piperidin-1-ylpropyl)benzamide (PubChem CID 112502315) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(2-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(2-piperidin-1-ylpropyl)benzamide
PubChem CID112502315
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name3,4,5-trimethoxy-N-(2-piperidin-1-ylpropyl)benzamide
SMILESCOc1cc(C(=O)NCC(C)N2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C18H28N2O4/c1-13(20-8-6-5-7-9-20)12-19-18(21)14-10-15(22-2)17(24-4)16(11-14)23-3/h10-11,13H,5-9,12H2,1-4H3,(H,19,21)
InChIKeyMCRMDEVZGVWMGG-UHFFFAOYSA-N
XLogP2.32
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
CID 110402980
3,4,5-triethoxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502348
3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17014085
3,4,5-trimethoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35341953
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17014577
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17012011
6-methoxy-N-[(2S)-2-piperidin-1-ylpropyl]pyridine-3-carboxamide
CID 94633091
3,4,5-trimethoxy-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzamide
CID 41453918
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3,4,5-trimethoxybenzamide
CID 7496210
3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide
CID 103512763
4-bromo-3,5-dimethoxy-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55717834
3,4,5-trimethoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 42702287

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(2-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(2-piperidin-1-ylpropyl)benzamide (CID 112502315) is 3,4,5-trimethoxy-N-(2-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(2-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(2-piperidin-1-ylpropyl)benzamide is COc1cc(C(=O)NCC(C)N2CCCCC2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(2-piperidin-1-ylpropyl)benzamide?
The InChIKey is MCRMDEVZGVWMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-13(20-8-6-5-7-9-20)12-19-18(21)14-10-15(22-2)17(24-4)16(11-14)23-3/h10-11,13H,5-9,12H2,1-4H3,(H,19,21).
What are the key properties of 3,4,5-trimethoxy-N-(2-piperidin-1-ylpropyl)benzamide?
3,4,5-trimethoxy-N-(2-piperidin-1-ylpropyl)benzamide has a molecular weight of 336.43 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(2-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 112502315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).