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

C22H35N3O5 — CID 3236923

IUPAC3,4,5-trimethoxy-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]benzamide
SMILESCOc1cc(C(=O)NCCC(=O)NCCCN2CCCCC2C)cc(OC)c1OC
InChIInChI=1S/C22H35N3O5/c1-16-8-5-6-12-25(16)13-7-10-23-20(26)9-11-24-22(27)17-14-18(28-2)21(30-4)19(15-17)29-3/h14-16H,5-13H2,1-4H3,(H,23,26)(H,24,27)
InChIKeySQXDINGGQNEVQW-UHFFFAOYSA-N
MW421.54 g/mol
LogP2.21
Rot. Bonds11

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

3,4,5-trimethoxy-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]benzamide (PubChem CID 3236923) has the molecular formula C22H35N3O5 and a molecular weight of 421.54 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]benzamide
PubChem CID3236923
Molecular FormulaC22H35N3O5
Molecular Weight421.54 g/mol
Exact Mass421.26
IUPAC Name3,4,5-trimethoxy-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]benzamide
SMILESCOc1cc(C(=O)NCCC(=O)NCCCN2CCCCC2C)cc(OC)c1OC
InChIInChI=1S/C22H35N3O5/c1-16-8-5-6-12-25(16)13-7-10-23-20(26)9-11-24-22(27)17-14-18(28-2)21(30-4)19(15-17)29-3/h14-16H,5-13H2,1-4H3,(H,23,26)(H,24,27)
InChIKeySQXDINGGQNEVQW-UHFFFAOYSA-N
XLogP2.21
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]benzamide (CID 3236923) is 3,4,5-trimethoxy-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]benzamide is COc1cc(C(=O)NCCC(=O)NCCCN2CCCCC2C)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]benzamide?
The InChIKey is SQXDINGGQNEVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O5/c1-16-8-5-6-12-25(16)13-7-10-23-20(26)9-11-24-22(27)17-14-18(28-2)21(30-4)19(15-17)29-3/h14-16H,5-13H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of 3,4,5-trimethoxy-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]benzamide?
3,4,5-trimethoxy-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]benzamide has a molecular weight of 421.54 g/mol, XLogP of 2.21, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 3236923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).