N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide

C26H32N4O4 — CID 124941690

IUPACN-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide
SMILESCNC(=O)c1cccc([C@H]2CN(C(=O)c3ccccc3OCCN3CCCC3=O)CCN2C)c1
InChIInChI=1S/C26H32N4O4/c1-27-25(32)20-8-5-7-19(17-20)22-18-30(14-13-28(22)2)26(33)21-9-3-4-10-23(21)34-16-15-29-12-6-11-24(29)31/h3-5,7-10,17,22H,6,11-16,18H2,1-2H3,(H,27,32)/t22-/m1/s1
InChIKeyAPCBQBLBTPMDML-JOCHJYFZSA-N
MW464.57 g/mol
LogP2.18
Rot. Bonds7

About N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide

N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide (PubChem CID 124941690) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide
PubChem CID124941690
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC NameN-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide
SMILESCNC(=O)c1cccc([C@H]2CN(C(=O)c3ccccc3OCCN3CCCC3=O)CCN2C)c1
InChIInChI=1S/C26H32N4O4/c1-27-25(32)20-8-5-7-19(17-20)22-18-30(14-13-28(22)2)26(33)21-9-3-4-10-23(21)34-16-15-29-12-6-11-24(29)31/h3-5,7-10,17,22H,6,11-16,18H2,1-2H3,(H,27,32)/t22-/m1/s1
InChIKeyAPCBQBLBTPMDML-JOCHJYFZSA-N
XLogP2.18
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide?
The IUPAC name of N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide (CID 124941690) is N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide.
What is the SMILES notation for N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide?
The canonical SMILES for N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide is CNC(=O)c1cccc([C@H]2CN(C(=O)c3ccccc3OCCN3CCCC3=O)CCN2C)c1.
What is the InChIKey of N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide?
The InChIKey is APCBQBLBTPMDML-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-27-25(32)20-8-5-7-19(17-20)22-18-30(14-13-28(22)2)26(33)21-9-3-4-10-23(21)34-16-15-29-12-6-11-24(29)31/h3-5,7-10,17,22H,6,11-16,18H2,1-2H3,(H,27,32)/t22-/m1/s1.
What are the key properties of N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide?
N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide has a molecular weight of 464.57 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide is sourced from PubChem (CID 124941690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).