2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]benzamide

About 2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]benzamide

2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]benzamide (PubChem CID 167282781) has the molecular formula C26H38N4O4 and a molecular weight of 470.61 g/mol. Its IUPAC name is 2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]benzamide.

Molecular Properties

Compound Name	2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]benzamide
PubChem CID	167282781
Molecular Formula	C26H38N4O4
Molecular Weight	470.61 g/mol
Exact Mass	470.29
IUPAC Name	2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]benzamide
SMILES	CNC(=O)C(CCC=O)N(C)C(=O)c1ccc(N2CCC(CN3CCCCC3)CC2)cc1C=O
InChI	InChI=1S/C26H38N4O4/c1-27-25(33)24(7-6-16-31)28(2)26(34)23-9-8-22(17-21(23)19-32)30-14-10-20(11-15-30)18-29-12-4-3-5-13-29/h8-9,16-17,19-20,24H,3-7,10-15,18H2,1-2H3,(H,27,33)
InChIKey	CRJGZZYNDNCPSB-UHFFFAOYSA-N
XLogP	2.37
TPSA	90.03 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	10
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.61
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]benzamide?

The IUPAC name of 2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]benzamide (CID 167282781) is 2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]benzamide.

What is the SMILES notation for 2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]benzamide?

The canonical SMILES for 2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]benzamide is CNC(=O)C(CCC=O)N(C)C(=O)c1ccc(N2CCC(CN3CCCCC3)CC2)cc1C=O.

What is the InChIKey of 2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]benzamide?

The InChIKey is CRJGZZYNDNCPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O4/c1-27-25(33)24(7-6-16-31)28(2)26(34)23-9-8-22(17-21(23)19-32)30-14-10-20(11-15-30)18-29-12-4-3-5-13-29/h8-9,16-17,19-20,24H,3-7,10-15,18H2,1-2H3,(H,27,33).

What are the key properties of 2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]benzamide?

2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]benzamide has a molecular weight of 470.61 g/mol, XLogP of 2.37, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]benzamide is sourced from PubChem (CID 167282781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).