2,4,5-trimethoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide

C17H26N2O4 — CID 95213688

IUPAC2,4,5-trimethoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide
SMILESCOc1cc(OC)c(C(=O)NC[C@@H]2CCCN(C)C2)cc1OC
InChIInChI=1S/C17H26N2O4/c1-19-7-5-6-12(11-19)10-18-17(20)13-8-15(22-3)16(23-4)9-14(13)21-2/h8-9,12H,5-7,10-11H2,1-4H3,(H,18,20)/t12-/m0/s1
InChIKeyXAJGKJUVMXYLGY-LBPRGKRZSA-N
MW322.41 g/mol
LogP1.78
Rot. Bonds6

About 2,4,5-trimethoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide

2,4,5-trimethoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide (PubChem CID 95213688) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide
PubChem CID95213688
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name2,4,5-trimethoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide
SMILESCOc1cc(OC)c(C(=O)NC[C@@H]2CCCN(C)C2)cc1OC
InChIInChI=1S/C17H26N2O4/c1-19-7-5-6-12(11-19)10-18-17(20)13-8-15(22-3)16(23-4)9-14(13)21-2/h8-9,12H,5-7,10-11H2,1-4H3,(H,18,20)/t12-/m0/s1
InChIKeyXAJGKJUVMXYLGY-LBPRGKRZSA-N
XLogP1.78
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
5-amino-2-bromo-4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 62815794
4-chloro-2-methoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
CID 56716852
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-propoxybenzamide
CID 95210574
2-bromo-4-chloro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 103765330
2,4,5-trimethoxy-N-[[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]cyclohexyl]methyl]benzamide
CID 139634551
N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide
CID 63108415
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]cyclohexyl]methyl]-2,4,5-trimethoxybenzamide
CID 139634585
2-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 113339088
2-(2-methylphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzamide
CID 95207411
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 95214625
4-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 81243360

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide?
The IUPAC name of 2,4,5-trimethoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide (CID 95213688) is 2,4,5-trimethoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2,4,5-trimethoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide?
The canonical SMILES for 2,4,5-trimethoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide is COc1cc(OC)c(C(=O)NC[C@@H]2CCCN(C)C2)cc1OC.
What is the InChIKey of 2,4,5-trimethoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide?
The InChIKey is XAJGKJUVMXYLGY-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-19-7-5-6-12(11-19)10-18-17(20)13-8-15(22-3)16(23-4)9-14(13)21-2/h8-9,12H,5-7,10-11H2,1-4H3,(H,18,20)/t12-/m0/s1.
What are the key properties of 2,4,5-trimethoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide?
2,4,5-trimethoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide has a molecular weight of 322.41 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 95213688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).