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

C19H30N2O4 — CID 9472517

IUPAC2,3,4-trimethoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCN2CCCC[C@H]2C)c(OC)c1OC
InChIInChI=1S/C19H30N2O4/c1-14-8-5-6-12-21(14)13-7-11-20-19(22)15-9-10-16(23-2)18(25-4)17(15)24-3/h9-10,14H,5-8,11-13H2,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyUIGKLPQFJOZQNT-CQSZACIVSA-N
MW350.46 g/mol
LogP2.71
Rot. Bonds8

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

2,3,4-trimethoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide (PubChem CID 9472517) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
PubChem CID9472517
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name2,3,4-trimethoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCN2CCCC[C@H]2C)c(OC)c1OC
InChIInChI=1S/C19H30N2O4/c1-14-8-5-6-12-21(14)13-7-11-20-19(22)15-9-10-16(23-2)18(25-4)17(15)24-3/h9-10,14H,5-8,11-13H2,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyUIGKLPQFJOZQNT-CQSZACIVSA-N
XLogP2.71
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-nitrobenzamide
CID 9473476
2-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 134003012
4-fluoro-2-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 47040952
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 80710568
4-bromo-N-[3-(2-methylpiperidin-1-yl)propyl]-2-sulfanylbenzamide
CID 107020528
2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 35416174
4-methoxy-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
CID 51221501
2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 119946610
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
N-[3-(cyclopropylmethoxy)propyl]-2,3,4-trimethoxybenzamide
CID 46613320
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide?
The IUPAC name of 2,3,4-trimethoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide (CID 9472517) is 2,3,4-trimethoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide is COc1ccc(C(=O)NCCCN2CCCC[C@H]2C)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide?
The InChIKey is UIGKLPQFJOZQNT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-14-8-5-6-12-21(14)13-7-11-20-19(22)15-9-10-16(23-2)18(25-4)17(15)24-3/h9-10,14H,5-8,11-13H2,1-4H3,(H,20,22)/t14-/m1/s1.
What are the key properties of 2,3,4-trimethoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide?
2,3,4-trimethoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide has a molecular weight of 350.46 g/mol, XLogP of 2.71, 8 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-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 9472517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).