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

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

2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-5-[4-[1-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]benzamide (PubChem CID 167480630) has the molecular formula C35H53N7O5 and a molecular weight of 651.85 g/mol. Its IUPAC name is 2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-5-[4-[1-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name	2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-5-[4-[1-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]benzamide
PubChem CID	167480630
Molecular Formula	C35H53N7O5
Molecular Weight	651.85 g/mol
Exact Mass	651.41
IUPAC Name	2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-5-[4-[1-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]benzamide
SMILES	CNC(=O)C(CCC=O)N(C)C(=O)c1cc(N2CCN(C3CCN(C(=O)N4CCC(N5CCCCC5)CC4)CC3)CC2)ccc1C=O
InChI	InChI=1S/C35H53N7O5/c1-36-33(45)32(7-6-24-43)37(2)34(46)31-25-30(9-8-27(31)26-44)40-22-20-39(21-23-40)29-12-18-42(19-13-29)35(47)41-16-10-28(11-17-41)38-14-4-3-5-15-38/h8-9,24-26,28-29,32H,3-7,10-23H2,1-2H3,(H,36,45)
InChIKey	GVWKMUIDGSTEHG-UHFFFAOYSA-N
XLogP	2.32
TPSA	116.82 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	10
Heavy Atoms	47
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	651.85
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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]-5-[4-[1-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]benzamide?

The IUPAC name of 2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-5-[4-[1-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]benzamide (CID 167480630) is 2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-5-[4-[1-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]benzamide.

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

The canonical SMILES for 2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-5-[4-[1-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]benzamide is CNC(=O)C(CCC=O)N(C)C(=O)c1cc(N2CCN(C3CCN(C(=O)N4CCC(N5CCCCC5)CC4)CC3)CC2)ccc1C=O.

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

The InChIKey is GVWKMUIDGSTEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H53N7O5/c1-36-33(45)32(7-6-24-43)37(2)34(46)31-25-30(9-8-27(31)26-44)40-22-20-39(21-23-40)29-12-18-42(19-13-29)35(47)41-16-10-28(11-17-41)38-14-4-3-5-15-38/h8-9,24-26,28-29,32H,3-7,10-23H2,1-2H3,(H,36,45).

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

2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-5-[4-[1-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]benzamide has a molecular weight of 651.85 g/mol, XLogP of 2.32, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-5-[4-[1-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]benzamide is sourced from PubChem (CID 167480630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).