N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-3,4,5-trimethoxybenzamide

C25H33N3O7 — CID 649512

IUPACN-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)cc1NC(=O)CN1CCCCC1
InChIInChI=1S/C25H33N3O7/c1-31-19-14-18(27-25(30)16-11-21(33-3)24(35-5)22(12-16)34-4)20(32-2)13-17(19)26-23(29)15-28-9-7-6-8-10-28/h11-14H,6-10,15H2,1-5H3,(H,26,29)(H,27,30)
InChIKeyLWPVDAOEKGGNBU-UHFFFAOYSA-N
MW487.55 g/mol
LogP3.41
Rot. Bonds10

About N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-3,4,5-trimethoxybenzamide

N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 649512) has the molecular formula C25H33N3O7 and a molecular weight of 487.55 g/mol. Its IUPAC name is N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-3,4,5-trimethoxybenzamide
PubChem CID649512
Molecular FormulaC25H33N3O7
Molecular Weight487.55 g/mol
Exact Mass487.23
IUPAC NameN-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)cc1NC(=O)CN1CCCCC1
InChIInChI=1S/C25H33N3O7/c1-31-19-14-18(27-25(30)16-11-21(33-3)24(35-5)22(12-16)34-4)20(32-2)13-17(19)26-23(29)15-28-9-7-6-8-10-28/h11-14H,6-10,15H2,1-5H3,(H,26,29)(H,27,30)
InChIKeyLWPVDAOEKGGNBU-UHFFFAOYSA-N
XLogP3.41
TPSA107.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.55
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-3,4,5-trimethoxybenzamide (CID 649512) is N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-3,4,5-trimethoxybenzamide is COc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)cc1NC(=O)CN1CCCCC1.
What is the InChIKey of N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is LWPVDAOEKGGNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O7/c1-31-19-14-18(27-25(30)16-11-21(33-3)24(35-5)22(12-16)34-4)20(32-2)13-17(19)26-23(29)15-28-9-7-6-8-10-28/h11-14H,6-10,15H2,1-5H3,(H,26,29)(H,27,30).
What are the key properties of N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-3,4,5-trimethoxybenzamide?
N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 487.55 g/mol, XLogP of 3.41, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 649512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).